N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide

C20H19ClF2N2O3 — CID 146285631

IUPACN-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc(F)c2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1Cl
InChIInChI=1S/C20H19ClF2N2O3/c1-2-4-15(19(27)11-5-3-6-13(22)17(11)21)24-20(28)10-7-8-14(23)18-12(10)9-16(26)25-18/h3,5-8,15,19,27H,2,4,9H2,1H3,(H,24,28)(H,25,26)/t15-,19+/m1/s1
InChIKeyHWICWPFLZWBPLD-BEFAXECRSA-N
MW408.83 g/mol
LogP3.74
Rot. Bonds6

About N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide

N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 146285631) has the molecular formula C20H19ClF2N2O3 and a molecular weight of 408.83 g/mol. Its IUPAC name is N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID146285631
Molecular FormulaC20H19ClF2N2O3
Molecular Weight408.83 g/mol
Exact Mass408.11
IUPAC NameN-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccc(F)c2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1Cl
InChIInChI=1S/C20H19ClF2N2O3/c1-2-4-15(19(27)11-5-3-6-13(22)17(11)21)24-20(28)10-7-8-14(23)18-12(10)9-16(26)25-18/h3,5-8,15,19,27H,2,4,9H2,1H3,(H,24,28)(H,25,26)/t15-,19+/m1/s1
InChIKeyHWICWPFLZWBPLD-BEFAXECRSA-N
XLogP3.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.83
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

A1AT modulator 1
CID 146285629
N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 146285632
SM-130686 free base
CID 9804743
6-Carbamoyl-4-(trifluoromethyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-3-(2-chlorophenyl)indoline-2-one
CID 9890863
N-[(1S,2R)-1-hydroxy-1-[2-(trifluoromethyl)phenyl]pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 164611638
N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide
CID 164614755
N-[(1S,2R)-1-hydroxy-1-(2-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 164617047
N-[(1S,2R)-1-(2-chlorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 164618339
N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 164619633
N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1H-quinoline-5-carboxamide
CID 164620220
N-[(1S,2R)-1-hydroxy-1-(3-methylphenyl)pentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 164622845
N-[(1S,2R)-1-(5-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
CID 164626059

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide (CID 146285631) is N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide is CCC[C@@H](NC(=O)c1ccc(F)c2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1Cl.
What is the InChIKey of N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is HWICWPFLZWBPLD-BEFAXECRSA-N. The full InChI is InChI=1S/C20H19ClF2N2O3/c1-2-4-15(19(27)11-5-3-6-13(22)17(11)21)24-20(28)10-7-8-14(23)18-12(10)9-16(26)25-18/h3,5-8,15,19,27H,2,4,9H2,1H3,(H,24,28)(H,25,26)/t15-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 408.83 g/mol, XLogP of 3.74, 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-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-7-fluoro-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 146285631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).