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

C21H23FN2O3 — CID 146285629

IUPACN-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1C
InChIInChI=1S/C21H23FN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1
InChIKeyMSZBLPYPBQYDNI-QUCCMNQESA-N
MW370.42 g/mol
LogP3.26
Rot. Bonds6

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

N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (PubChem CID 146285629) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
PubChem CID146285629
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC NameN-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccc2c1CC(=O)N2)[C@@H](O)c1cccc(F)c1C
InChIInChI=1S/C21H23FN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1
InChIKeyMSZBLPYPBQYDNI-QUCCMNQESA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.26
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-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide (CID 146285629) is N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-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)c1C.
What is the InChIKey of N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
The InChIKey is MSZBLPYPBQYDNI-QUCCMNQESA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide?
N-[(1S,2R)-1-(3-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.26, 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-fluoro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 146285629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).