3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide

C23H18Cl2FN3O3 — CID 118935802

IUPAC3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1CN(C(=O)c1cc(Cl)ccc1O)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H18Cl2FN3O3/c24-13-3-6-20(30)17(8-13)23(32)29(11-12-2-1-7-28-21(12)22(27)31)19-5-4-15-16(19)9-14(25)10-18(15)26/h1-3,6-10,19,30H,4-5,11H2,(H2,27,31)/t19-/m1/s1
InChIKeyNLVKIRKTHHVWQO-LJQANCHMSA-N
MW474.32 g/mol
LogP4.66
Rot. Bonds5

About 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide

3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 118935802) has the molecular formula C23H18Cl2FN3O3 and a molecular weight of 474.32 g/mol. Its IUPAC name is 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
PubChem CID118935802
Molecular FormulaC23H18Cl2FN3O3
Molecular Weight474.32 g/mol
Exact Mass473.07
IUPAC Name3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1CN(C(=O)c1cc(Cl)ccc1O)[C@@H]1CCc2c(F)cc(Cl)cc21
InChIInChI=1S/C23H18Cl2FN3O3/c24-13-3-6-20(30)17(8-13)23(32)29(11-12-2-1-7-28-21(12)22(27)31)19-5-4-15-16(19)9-14(25)10-18(15)26/h1-3,6-10,19,30H,4-5,11H2,(H2,27,31)/t19-/m1/s1
InChIKeyNLVKIRKTHHVWQO-LJQANCHMSA-N
XLogP4.66
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]pyridine-4-carboxamide
CID 118935355
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]-2-hydroxy-3-methylbenzamide
CID 118935505
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]-4-methyl-1,3-thiazole-5-carboxamide
CID 118935240
N-[(2-carbamoylphenyl)methyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-5-fluorothiophene-2-carboxamide
CID 118935311
3-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 140712230
3-[[benzoyl-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]methyl]pyridine-2-carboxamide
CID 118935697
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-ethylbenzamide;pyridine
CID 144743655
2-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(3-cyanobenzoyl)amino]methyl]benzamide
CID 118935897
N-(2-amino-2-oxoethyl)-N-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl)benzamide;2-methylpyridine
CID 144743635

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide (CID 118935802) is 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide is NC(=O)c1ncccc1CN(C(=O)c1cc(Cl)ccc1O)[C@@H]1CCc2c(F)cc(Cl)cc21.
What is the InChIKey of 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is NLVKIRKTHHVWQO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O3/c24-13-3-6-20(30)17(8-13)23(32)29(11-12-2-1-7-28-21(12)22(27)31)19-5-4-15-16(19)9-14(25)10-18(15)26/h1-3,6-10,19,30H,4-5,11H2,(H2,27,31)/t19-/m1/s1.
What are the key properties of 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 474.32 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-(5-chloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118935802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).