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

C21H23ClN2O3 — CID 164614755

IUPACN-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1NC(=O)C2)[C@@H](O)c1cccc(Cl)c1C
InChIInChI=1S/C21H23ClN2O3/c1-3-6-17(20(26)14-8-5-10-16(22)12(14)2)23-21(27)15-9-4-7-13-11-18(25)24-19(13)15/h4-5,7-10,17,20,26H,3,6,11H2,1-2H3,(H,23,27)(H,24,25)/t17-,20+/m1/s1
InChIKeyJYVICROVOQLQTF-XLIONFOSSA-N
MW386.88 g/mol
LogP3.78
Rot. Bonds6

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

N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide (PubChem CID 164614755) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide
PubChem CID164614755
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1NC(=O)C2)[C@@H](O)c1cccc(Cl)c1C
InChIInChI=1S/C21H23ClN2O3/c1-3-6-17(20(26)14-8-5-10-16(22)12(14)2)23-21(27)15-9-4-7-13-11-18(25)24-19(13)15/h4-5,7-10,17,20,26H,3,6,11H2,1-2H3,(H,23,27)(H,24,25)/t17-,20+/m1/s1
InChIKeyJYVICROVOQLQTF-XLIONFOSSA-N
XLogP3.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.78
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-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide (CID 164614755) is N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide is CCC[C@@H](NC(=O)c1cccc2c1NC(=O)C2)[C@@H](O)c1cccc(Cl)c1C.
What is the InChIKey of N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide?
The InChIKey is JYVICROVOQLQTF-XLIONFOSSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-3-6-17(20(26)14-8-5-10-16(22)12(14)2)23-21(27)15-9-4-7-13-11-18(25)24-19(13)15/h4-5,7-10,17,20,26H,3,6,11H2,1-2H3,(H,23,27)(H,24,25)/t17-,20+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide?
N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.78, 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-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-7-carboxamide is sourced from PubChem (CID 164614755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).