(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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide

C112H78Cl6F12N12O18S2 — CID 162058965

About (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 162058965) has the molecular formula C112H78Cl6F12N12O18S2 and a molecular weight of 2384.75 g/mol. Its IUPAC name is (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
• PubChem CID: 162058965
• Molecular Formula: C112H78Cl6F12N12O18S2
• Molecular Weight: 2384.75 g/mol
• Exact Mass: 2380.29
• IUPAC Name: (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide
• SMILES: CCCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1ccsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(CCc1ccccc1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.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)[C@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cccs1
• InChI: InChI=1S/C21H15ClF2N2O3.2C20H15ClF2N2O3.C18H11ClF2N2O3S.C17H9ClF2N2O3S.C16H13ClF2N2O3/c22-16-11-18-17(28-21(23,24)29-18)10-15(16)14-7-8-19(25-12-14)26-20(27)9-6-13-4-2-1-3-5-13;2*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;18-11-7-13-12(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;1-2-3-15(22)21-14-5-4-9(8-20-14)10-6-12-13(7-11(10)17)24-16(18,19)23-12/h1-5,7-8,10-12H,6,9H2,(H,25,26,27);2*1-4,7-11,14H,5-6H2,(H,24,25,26);2-8H,1H3,(H,22,23,24);1-8H,(H,21,22,23);4-8H,2-3H2,1H3,(H,20,21,22)/t;10-,11+,14+;10-,11+,14-;;;/m.00.../s1
• InChIKey: YZOKOSOILMUUGS-VORQQUFXSA-N
• XLogP: 29.89
• TPSA: 362.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2384.75
LogP ≤ 5	29.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?

The IUPAC name of (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide (CID 162058965) is (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide.

What is the SMILES notation for (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?

The canonical SMILES for (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide is CCCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1ccsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(CCc1ccccc1)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.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)[C@H]1C[C@H]2C=C[C@@H]1C2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cccs1.

What is the InChIKey of (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide?

The InChIKey is YZOKOSOILMUUGS-VORQQUFXSA-N. The full InChI is InChI=1S/C21H15ClF2N2O3.2C20H15ClF2N2O3.C18H11ClF2N2O3S.C17H9ClF2N2O3S.C16H13ClF2N2O3/c22-16-11-18-17(28-21(23,24)29-18)10-15(16)14-7-8-19(25-12-14)26-20(27)9-6-13-4-2-1-3-5-13;2*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;18-11-7-13-12(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;1-2-3-15(22)21-14-5-4-9(8-20-14)10-6-12-13(7-11(10)17)24-16(18,19)23-12/h1-5,7-8,10-12H,6,9H2,(H,25,26,27);2*1-4,7-11,14H,5-6H2,(H,24,25,26);2-8H,1H3,(H,22,23,24);1-8H,(H,21,22,23);4-8H,2-3H2,1H3,(H,20,21,22)/t;10-,11+,14+;10-,11+,14-;;;/m.00.../s1.

What are the key properties of (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 2384.75 g/mol, XLogP of 29.89, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(1S,2R,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]butanamide;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]-3-phenylpropanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 162058965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).