N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

C23H18Cl2FN3O2 — CID 118935502

About N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide

N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (PubChem CID 118935502) has the molecular formula C23H18Cl2FN3O2 and a molecular weight of 458.32 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
• PubChem CID: 118935502
• Molecular Formula: C23H18Cl2FN3O2
• Molecular Weight: 458.32 g/mol
• Exact Mass: 457.08
• IUPAC Name: N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
• SMILES: NC(=O)c1ccccc1CN(C(=O)c1ncccc1Cl)[C@@H]1CCc2c(F)cc(Cl)cc21
• InChI: InChI=1S/C23H18Cl2FN3O2/c24-14-10-17-16(19(26)11-14)7-8-20(17)29(23(31)21-18(25)6-3-9-28-21)12-13-4-1-2-5-15(13)22(27)30/h1-6,9-11,20H,7-8,12H2,(H2,27,30)/t20-/m1/s1
• InChIKey: YERKXFNKBXETRP-HXUWFJFHSA-N
• XLogP: 4.96
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.32
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide (CID 118935502) is N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is NC(=O)c1ccccc1CN(C(=O)c1ncccc1Cl)[C@@H]1CCc2c(F)cc(Cl)cc21.

What is the InChIKey of N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

The InChIKey is YERKXFNKBXETRP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O2/c24-14-10-17-16(19(26)11-14)7-8-20(17)29(23(31)21-18(25)6-3-9-28-21)12-13-4-1-2-5-15(13)22(27)30/h1-6,9-11,20H,7-8,12H2,(H2,27,30)/t20-/m1/s1.

What are the key properties of N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide?

N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide has a molecular weight of 458.32 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118935502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).