N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

C20H21ClN2O3 — CID 164618339

IUPACN-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-2-6-17(19(25)13-7-3-4-9-15(13)21)23-20(26)12-8-5-10-16-14(12)11-18(24)22-16/h3-5,7-10,17,19,25H,2,6,11H2,1H3,(H,22,24)(H,23,26)/t17-,19+/m1/s1
InChIKeyHZDFQCYRGFJXGP-MJGOQNOKSA-N
MW372.85 g/mol
LogP3.47
Rot. Bonds6

About N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide

N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 164618339) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID164618339
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-2-6-17(19(25)13-7-3-4-9-15(13)21)23-20(26)12-8-5-10-16-14(12)11-18(24)22-16/h3-5,7-10,17,19,25H,2,6,11H2,1H3,(H,22,24)(H,23,26)/t17-,19+/m1/s1
InChIKeyHZDFQCYRGFJXGP-MJGOQNOKSA-N
XLogP3.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (CID 164618339) is N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is CCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1ccccc1Cl.
What is the InChIKey of N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is HZDFQCYRGFJXGP-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-2-6-17(19(25)13-7-3-4-9-15(13)21)23-20(26)12-8-5-10-16-14(12)11-18(24)22-16/h3-5,7-10,17,19,25H,2,6,11H2,1H3,(H,22,24)(H,23,26)/t17-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 164618339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).