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

C20H20ClFN2O3 — CID 164619633

IUPACN-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1Cl
InChIInChI=1S/C20H20ClFN2O3/c1-2-5-16(19(26)12-7-3-8-14(22)18(12)21)24-20(27)11-6-4-9-15-13(11)10-17(25)23-15/h3-4,6-9,16,19,26H,2,5,10H2,1H3,(H,23,25)(H,24,27)/t16-,19+/m1/s1
InChIKeyQBRQCVBBRPKYAW-APWZRJJASA-N
MW390.84 g/mol
LogP3.61
Rot. Bonds6

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

N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 164619633) has the molecular formula C20H20ClFN2O3 and a molecular weight of 390.84 g/mol. Its IUPAC name is N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID164619633
Molecular FormulaC20H20ClFN2O3
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC NameN-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1Cl
InChIInChI=1S/C20H20ClFN2O3/c1-2-5-16(19(26)12-7-3-8-14(22)18(12)21)24-20(27)11-6-4-9-15-13(11)10-17(25)23-15/h3-4,6-9,16,19,26H,2,5,10H2,1H3,(H,23,25)(H,24,27)/t16-,19+/m1/s1
InChIKeyQBRQCVBBRPKYAW-APWZRJJASA-N
XLogP3.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.61
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-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (CID 164619633) is N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-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]-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is CCC[C@@H](NC(=O)c1cccc2c1CC(=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]-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is QBRQCVBBRPKYAW-APWZRJJASA-N. The full InChI is InChI=1S/C20H20ClFN2O3/c1-2-5-16(19(26)12-7-3-8-14(22)18(12)21)24-20(27)11-6-4-9-15-13(11)10-17(25)23-15/h3-4,6-9,16,19,26H,2,5,10H2,1H3,(H,23,25)(H,24,27)/t16-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[(1S,2R)-1-(2-chloro-3-fluorophenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 390.84 g/mol, XLogP of 3.61, 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]-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 164619633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).