[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine

C47H46Cl2F4N6O5 — CID 160947558

About [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine

[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine (PubChem CID 160947558) has the molecular formula C47H46Cl2F4N6O5 and a molecular weight of 921.82 g/mol. Its IUPAC name is [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine.

Molecular Properties

• Compound Name: [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine
• PubChem CID: 160947558
• Molecular Formula: C47H46Cl2F4N6O5
• Molecular Weight: 921.82 g/mol
• Exact Mass: 920.28
• IUPAC Name: [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine
• SMILES: C.C.NCc1ccccn1.O=C(NCc1ccccn1)O[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2O
• InChI: InChI=1S/C23H18ClF2N3O3.C16H12ClF2NO2.C6H8N2.2CH4/c24-17-11-13(4-7-18(17)25)29-22(30)16-5-8-19(26)21-15(16)6-9-20(21)32-23(31)28-12-14-3-1-2-10-27-14;17-11-7-8(1-4-12(11)18)20-16(22)10-2-5-13(19)15-9(10)3-6-14(15)21;7-5-6-3-1-2-4-8-6;;/h1-5,7-8,10-11,20H,6,9,12H2,(H,28,31)(H,29,30);1-2,4-5,7,14,21H,3,6H2,(H,20,22);1-4H,5,7H2;2*1H4/t20-;14-;;;/m00.../s1
• InChIKey: SVHWZDSMRPBRTI-DERJKTSTSA-N
• XLogP: 10.84
• TPSA: 168.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.82
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine?

The IUPAC name of [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine (CID 160947558) is [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine.

What is the SMILES notation for [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine?

The canonical SMILES for [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine is C.C.NCc1ccccn1.O=C(NCc1ccccn1)O[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2O.

What is the InChIKey of [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine?

The InChIKey is SVHWZDSMRPBRTI-DERJKTSTSA-N. The full InChI is InChI=1S/C23H18ClF2N3O3.C16H12ClF2NO2.C6H8N2.2CH4/c24-17-11-13(4-7-18(17)25)29-22(30)16-5-8-19(26)21-15(16)6-9-20(21)32-23(31)28-12-14-3-1-2-10-27-14;17-11-7-8(1-4-12(11)18)20-16(22)10-2-5-13(19)15-9(10)3-6-14(15)21;7-5-6-3-1-2-4-8-6;;/h1-5,7-8,10-11,20H,6,9,12H2,(H,28,31)(H,29,30);1-2,4-5,7,14,21H,3,6H2,(H,20,22);1-4H,5,7H2;2*1H4/t20-;14-;;;/m00.../s1.

What are the key properties of [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine?

[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine has a molecular weight of 921.82 g/mol, XLogP of 10.84, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl] N-(pyridin-2-ylmethyl)carbamate;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-hydroxy-2,3-dihydro-1H-indene-4-carboxamide;methane;pyridin-2-ylmethanamine is sourced from PubChem (CID 160947558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).