N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide

C120H93Cl2F14N13O18S2 — CID 161438117

IUPACN-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide
SMILESCC(F)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.CC1=C(C)C(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc2)=NC1.CCc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCn1cccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)F)cc1)OC(F)(F)O2.Cc1cscc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1
InChIInChI=1S/C21H18F2N2O3.C20H15ClF2N2O3.C20H16F3N3O3.C20H16F2N2O3S.C20H15F2NO3S.C19H13ClF3N3O3/c1-3-25-10-4-5-17(25)20(26)24-15-8-6-14(7-9-15)16-12-19-18(11-13(16)2)27-21(22,23)28-19;1-10-9-24-18(11(10)2)19(26)25-13-5-3-12(4-6-13)14-7-16-17(8-15(14)21)28-20(22,23)27-16;1-11-9-17-18(29-20(22,23)28-17)10-15(11)13-3-5-14(6-4-13)25-19(27)16-7-8-24-26(16)12(2)21;1-3-12-10-23-28-18(12)19(25)24-14-6-4-13(5-7-14)15-9-17-16(8-11(15)2)26-20(21,22)27-17;1-11-7-17-18(26-20(21,22)25-17)8-15(11)13-3-5-14(6-4-13)23-19(24)16-10-27-9-12(16)2;1-10(21)26-15(6-7-24-26)18(27)25-12-4-2-11(3-5-12)13-8-16-17(9-14(13)20)29-19(22,23)28-16/h4-12H,3H2,1-2H3,(H,24,26);3-8H,9H2,1-2H3,(H,25,26);3-10,12H,1-2H3,(H,25,27);4-10H,3H2,1-2H3,(H,24,25);3-10H,1-2H3,(H,23,24);2-10H,1H3,(H,25,27)
InChIKeyVYXMNTATRJIWKI-UHFFFAOYSA-N
MW2406.15 g/mol
LogP31.16
Rot. Bonds22

About N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide (PubChem CID 161438117) has the molecular formula C120H93Cl2F14N13O18S2 and a molecular weight of 2406.15 g/mol. Its IUPAC name is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide
PubChem CID161438117
Molecular FormulaC120H93Cl2F14N13O18S2
Molecular Weight2406.15 g/mol
Exact Mass2403.54
IUPAC NameN-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide
SMILESCC(F)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.CC1=C(C)C(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc2)=NC1.CCc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCn1cccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)F)cc1)OC(F)(F)O2.Cc1cscc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1
InChIInChI=1S/C21H18F2N2O3.C20H15ClF2N2O3.C20H16F3N3O3.C20H16F2N2O3S.C20H15F2NO3S.C19H13ClF3N3O3/c1-3-25-10-4-5-17(25)20(26)24-15-8-6-14(7-9-15)16-12-19-18(11-13(16)2)27-21(22,23)28-19;1-10-9-24-18(11(10)2)19(26)25-13-5-3-12(4-6-13)14-7-16-17(8-15(14)21)28-20(22,23)27-16;1-11-9-17-18(29-20(22,23)28-17)10-15(11)13-3-5-14(6-4-13)25-19(27)16-7-8-24-26(16)12(2)21;1-3-12-10-23-28-18(12)19(25)24-14-6-4-13(5-7-14)15-9-17-16(8-11(15)2)26-20(21,22)27-17;1-11-7-17-18(26-20(21,22)25-17)8-15(11)13-3-5-14(6-4-13)23-19(24)16-10-27-9-12(16)2;1-10(21)26-15(6-7-24-26)18(27)25-12-4-2-11(3-5-12)13-8-16-17(9-14(13)20)29-19(22,23)28-16/h4-12H,3H2,1-2H3,(H,24,26);3-8H,9H2,1-2H3,(H,25,26);3-10,12H,1-2H3,(H,25,27);4-10H,3H2,1-2H3,(H,24,25);3-10H,1-2H3,(H,23,24);2-10H,1H3,(H,25,27)
InChIKeyVYXMNTATRJIWKI-UHFFFAOYSA-N
XLogP31.16
TPSA351.18 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002406.15
LogP ≤ 531.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide with MolForge

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Related Compounds

N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 157094250
N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-2-methylfuran-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-2-methylfuran-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 157702544
N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-chlorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-2-fluorobenzamide;N-[4-(6-bromo-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-4-methyl-1,2-thiazole-5-carboxamide;2,6-difluoro-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]benzamide;2-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]-5-sulfanylcyclopenta-1,3-diene-1-carboxamide
CID 158422756
N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-cyclopropylpyrrole-2-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;1-cyclopropyl-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]pyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2,4-dimethyl-3H-pyrrole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methyl-3H-pyrrole-5-carboxamide
CID 159923606
N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;4-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,3-dimethylpyrazole-5-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1,4-dimethylpyrrole-2-carboxamide;3-chloro-N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-methylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2,6-difluorobenzamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-3,5-dimethyl-2H-pyrrole-4-carboxamide
CID 161237412

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide (CID 161438117) is N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide is CC(F)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1.CC1=C(C)C(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cc2)=NC1.CCc1cnsc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.CCn1cccc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)F)cc1)OC(F)(F)O2.Cc1cscc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cc1.
What is the InChIKey of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide?
The InChIKey is VYXMNTATRJIWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O3.C20H15ClF2N2O3.C20H16F3N3O3.C20H16F2N2O3S.C20H15F2NO3S.C19H13ClF3N3O3/c1-3-25-10-4-5-17(25)20(26)24-15-8-6-14(7-9-15)16-12-19-18(11-13(16)2)27-21(22,23)28-19;1-10-9-24-18(11(10)2)19(26)25-13-5-3-12(4-6-13)14-7-16-17(8-15(14)21)28-20(22,23)27-16;1-11-9-17-18(29-20(22,23)28-17)10-15(11)13-3-5-14(6-4-13)25-19(27)16-7-8-24-26(16)12(2)21;1-3-12-10-23-28-18(12)19(25)24-14-6-4-13(5-7-14)15-9-17-16(8-11(15)2)26-20(21,22)27-17;1-11-7-17-18(26-20(21,22)25-17)8-15(11)13-3-5-14(6-4-13)23-19(24)16-10-27-9-12(16)2;1-10(21)26-15(6-7-24-26)18(27)25-12-4-2-11(3-5-12)13-8-16-17(9-14(13)20)29-19(22,23)28-16/h4-12H,3H2,1-2H3,(H,24,26);3-8H,9H2,1-2H3,(H,25,26);3-10,12H,1-2H3,(H,25,27);4-10H,3H2,1-2H3,(H,24,25);3-10H,1-2H3,(H,23,24);2-10H,1H3,(H,25,27).
What are the key properties of N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide?
N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide has a molecular weight of 2406.15 g/mol, XLogP of 31.16, 22 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-3,4-dimethyl-2H-pyrrole-5-carboxamide;N-[4-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-1-ethylpyrrole-2-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-ethyl-1,2-thiazole-5-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-2-(1-fluoroethyl)pyrazole-3-carboxamide;N-[4-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)phenyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 161438117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).