N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide

C21H23FN2O2 — CID 110619940

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-12(2)18(13-5-7-14(22)8-6-13)19(25)23-15-9-10-17-16(11-15)21(3,4)20(26)24-17/h5-12,18H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZWULWWMORRSXLO-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.43
Rot. Bonds4

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide (PubChem CID 110619940) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide
PubChem CID110619940
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O2/c1-12(2)18(13-5-7-14(22)8-6-13)19(25)23-15-9-10-17-16(11-15)21(3,4)20(26)24-17/h5-12,18H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZWULWWMORRSXLO-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110619565
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110426208
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrazine-2-carboxamide
CID 110667759
5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one
CID 168596347
2-methyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)propanamide
CID 110405476
5-(1-hydroxy-4-methylpentyl)-3,3-dimethyl-1H-indol-2-one
CID 80500129
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-thiophen-2-ylacetamide
CID 110405726

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide (CID 110619940) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide is CC(C)C(C(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2)c1ccc(F)cc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide?
The InChIKey is ZWULWWMORRSXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-12(2)18(13-5-7-14(22)8-6-13)19(25)23-15-9-10-17-16(11-15)21(3,4)20(26)24-17/h5-12,18H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide has a molecular weight of 354.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(4-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 110619940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).