2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide

C25H19ClFN3O2 — CID 118935897

IUPAC2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide
SMILESN#Cc1cccc(C(=O)N(Cc2ccccc2C(N)=O)[C@@H]2CCc3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C25H19ClFN3O2/c26-18-11-21-20(22(27)12-18)8-9-23(21)30(14-17-5-1-2-7-19(17)24(29)31)25(32)16-6-3-4-15(10-16)13-28/h1-7,10-12,23H,8-9,14H2,(H2,29,31)/t23-/m1/s1
InChIKeyGTCRGCIGVNYFLW-HSZRJFAPSA-N
MW447.90 g/mol
LogP4.78
Rot. Bonds5

About 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide

2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide (PubChem CID 118935897) has the molecular formula C25H19ClFN3O2 and a molecular weight of 447.90 g/mol. Its IUPAC name is 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide
PubChem CID118935897
Molecular FormulaC25H19ClFN3O2
Molecular Weight447.90 g/mol
Exact Mass447.11
IUPAC Name2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide
SMILESN#Cc1cccc(C(=O)N(Cc2ccccc2C(N)=O)[C@@H]2CCc3c(F)cc(Cl)cc32)c1
InChIInChI=1S/C25H19ClFN3O2/c26-18-11-21-20(22(27)12-18)8-9-23(21)30(14-17-5-1-2-7-19(17)24(29)31)25(32)16-6-3-4-15(10-16)13-28/h1-7,10-12,23H,8-9,14H2,(H2,29,31)/t23-/m1/s1
InChIKeyGTCRGCIGVNYFLW-HSZRJFAPSA-N
XLogP4.78
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide with MolForge

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Related Compounds

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935355
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-hydroxy-3-methylbenzamide
CID 118935505
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-fluorothiophene-2-carboxamide
CID 118935311
N-[(2-carbamoylphenyl)methyl]-3-chloro-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 118935502
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 118936149
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-2-carboxamide
CID 118936078
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118935240
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 118935737
N-[(1R)-2-amino-2-oxo-1-pyridin-3-ylethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
CID 118935922
N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-cyanobenzamide
CID 118935923
3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
CID 118935802
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
CID 144743655

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide?
The IUPAC name of 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide (CID 118935897) is 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide.
What is the SMILES notation for 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide?
The canonical SMILES for 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide is N#Cc1cccc(C(=O)N(Cc2ccccc2C(N)=O)[C@@H]2CCc3c(F)cc(Cl)cc32)c1.
What is the InChIKey of 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide?
The InChIKey is GTCRGCIGVNYFLW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H19ClFN3O2/c26-18-11-21-20(22(27)12-18)8-9-23(21)30(14-17-5-1-2-7-19(17)24(29)31)25(32)16-6-3-4-15(10-16)13-28/h1-7,10-12,23H,8-9,14H2,(H2,29,31)/t23-/m1/s1.
What are the key properties of 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide?
2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide has a molecular weight of 447.90 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 118935897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).