3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide

C146H91Cl9F16N16O26S3 — CID 158559241

IUPAC3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESC=CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)oc2ccccc12.Cc1ccsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)[C@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cccs1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H13ClF2N2O4.C21H10Cl2F2N2O3S.C20H15ClF2N2O3.C18H11ClF2N2O3S.C17H13ClF2N2O4.C17H9ClF2N2O3S.C16H11ClF2N2O3.C15H9ClF2N2O3/c1-11-13-4-2-3-5-16(13)29-20(11)21(28)27-19-7-6-12(10-26-19)14-8-17-18(9-15(14)23)31-22(24,25)30-17;22-13-8-15-14(29-21(24,25)30-15)7-12(13)10-5-6-17(26-9-10)27-20(28)19-18(23)11-3-1-2-4-16(11)31-19;21-15-8-17-16(27-20(22,23)28-17)7-13(15)12-3-4-18(24-9-12)25-19(26)14-6-10-1-2-11(14)5-10;1-9-4-5-27-16(9)17(24)23-15-3-2-10(8-22-15)11-6-13-14(7-12(11)19)26-18(20,21)25-13;18-11-7-14-13(25-17(19,20)26-14)6-10(11)9-3-4-15(21-8-9)22-16(23)12-2-1-5-24-12;18-11-7-13-12(24-17(19,20)25-13)6-10(11)9-3-4-15(21-8-9)22-16(23)14-2-1-5-26-14;17-11-6-13-12(23-16(18,19)24-13)5-10(11)9-3-4-14(20-7-9)21-15(22)8-1-2-8;1-2-14(21)20-13-4-3-8(7-19-13)9-5-11-12(6-10(9)16)23-15(17,18)22-11/h2-10H,1H3,(H,26,27,28);1-9H,(H,26,27,28);1-4,7-11,14H,5-6H2,(H,24,25,26);2-8H,1H3,(H,22,23,24);3-4,6-8,12H,1-2,5H2,(H,21,22,23);1-8H,(H,21,22,23);3-8H,1-2H2,(H,20,21,22);2-7H,1H2,(H,19,20,21)/t;;10-,11+,14-;;;;;/m..0...../s1
InChIKeyHQRFQYIWTOXMPG-YXWUHQGZSA-N
MW3204.67 g/mol
LogP39.89
Rot. Bonds24

About 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide

3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 158559241) has the molecular formula C146H91Cl9F16N16O26S3 and a molecular weight of 3204.67 g/mol. Its IUPAC name is 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID158559241
Molecular FormulaC146H91Cl9F16N16O26S3
Molecular Weight3204.67 g/mol
Exact Mass3198.24
IUPAC Name3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
SMILESC=CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)oc2ccccc12.Cc1ccsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)[C@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cccs1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1sc2ccccc2c1Cl
InChIInChI=1S/C22H13ClF2N2O4.C21H10Cl2F2N2O3S.C20H15ClF2N2O3.C18H11ClF2N2O3S.C17H13ClF2N2O4.C17H9ClF2N2O3S.C16H11ClF2N2O3.C15H9ClF2N2O3/c1-11-13-4-2-3-5-16(13)29-20(11)21(28)27-19-7-6-12(10-26-19)14-8-17-18(9-15(14)23)31-22(24,25)30-17;22-13-8-15-14(29-21(24,25)30-15)7-12(13)10-5-6-17(26-9-10)27-20(28)19-18(23)11-3-1-2-4-16(11)31-19;21-15-8-17-16(27-20(22,23)28-17)7-13(15)12-3-4-18(24-9-12)25-19(26)14-6-10-1-2-11(14)5-10;1-9-4-5-27-16(9)17(24)23-15-3-2-10(8-22-15)11-6-13-14(7-12(11)19)26-18(20,21)25-13;18-11-7-14-13(25-17(19,20)26-14)6-10(11)9-3-4-15(21-8-9)22-16(23)12-2-1-5-24-12;18-11-7-13-12(24-17(19,20)25-13)6-10(11)9-3-4-15(21-8-9)22-16(23)14-2-1-5-26-14;17-11-6-13-12(23-16(18,19)24-13)5-10(11)9-3-4-14(20-7-9)21-15(22)8-1-2-8;1-2-14(21)20-13-4-3-8(7-19-13)9-5-11-12(6-10(9)16)23-15(17,18)22-11/h2-10H,1H3,(H,26,27,28);1-9H,(H,26,27,28);1-4,7-11,14H,5-6H2,(H,24,25,26);2-8H,1H3,(H,22,23,24);3-4,6-8,12H,1-2,5H2,(H,21,22,23);1-8H,(H,21,22,23);3-8H,1-2H2,(H,20,21,22);2-7H,1H2,(H,19,20,21)/t;;10-,11+,14-;;;;;/m..0...../s1
InChIKeyHQRFQYIWTOXMPG-YXWUHQGZSA-N
XLogP39.89
TPSA505.97 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003204.67
LogP ≤ 539.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide (CID 158559241) is 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide is C=CC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1c(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)oc2ccccc12.Cc1ccsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCO1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)[C@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cccs1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is HQRFQYIWTOXMPG-YXWUHQGZSA-N. The full InChI is InChI=1S/C22H13ClF2N2O4.C21H10Cl2F2N2O3S.C20H15ClF2N2O3.C18H11ClF2N2O3S.C17H13ClF2N2O4.C17H9ClF2N2O3S.C16H11ClF2N2O3.C15H9ClF2N2O3/c1-11-13-4-2-3-5-16(13)29-20(11)21(28)27-19-7-6-12(10-26-19)14-8-17-18(9-15(14)23)31-22(24,25)30-17;22-13-8-15-14(29-21(24,25)30-15)7-12(13)10-5-6-17(26-9-10)27-20(28)19-18(23)11-3-1-2-4-16(11)31-19;21-15-8-17-16(27-20(22,23)28-17)7-13(15)12-3-4-18(24-9-12)25-19(26)14-6-10-1-2-11(14)5-10;1-9-4-5-27-16(9)17(24)23-15-3-2-10(8-22-15)11-6-13-14(7-12(11)19)26-18(20,21)25-13;18-11-7-14-13(25-17(19,20)26-14)6-10(11)9-3-4-15(21-8-9)22-16(23)12-2-1-5-24-12;18-11-7-13-12(24-17(19,20)25-13)6-10(11)9-3-4-15(21-8-9)22-16(23)14-2-1-5-26-14;17-11-6-13-12(23-16(18,19)24-13)5-10(11)9-3-4-14(20-7-9)21-15(22)8-1-2-8;1-2-14(21)20-13-4-3-8(7-19-13)9-5-11-12(6-10(9)16)23-15(17,18)22-11/h2-10H,1H3,(H,26,27,28);1-9H,(H,26,27,28);1-4,7-11,14H,5-6H2,(H,24,25,26);2-8H,1H3,(H,22,23,24);3-4,6-8,12H,1-2,5H2,(H,21,22,23);1-8H,(H,21,22,23);3-8H,1-2H2,(H,20,21,22);2-7H,1H2,(H,19,20,21)/t;;10-,11+,14-;;;;;/m..0...../s1.
What are the key properties of 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?
3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 3204.67 g/mol, XLogP of 39.89, 24 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;(1S,2S,4S)-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methyl-1-benzofuran-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-3-methylthiophene-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxolane-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]prop-2-enamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 158559241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).