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

C24H21FN2O2 — CID 146306696

IUPAC5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(-c2cccc3c2C(C)(C)C(=O)N3)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c1-14-7-8-15(13-19(14)22(28)26-17-11-9-16(25)10-12-17)18-5-4-6-20-21(18)24(2,3)23(29)27-20/h4-13H,1-3H3,(H,26,28)(H,27,29)
InChIKeyYJIYZGJXMLWNFO-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.28
Rot. Bonds3

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

5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide (PubChem CID 146306696) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide
PubChem CID146306696
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(-c2cccc3c2C(C)(C)C(=O)N3)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H21FN2O2/c1-14-7-8-15(13-19(14)22(28)26-17-11-9-16(25)10-12-17)18-5-4-6-20-21(18)24(2,3)23(29)27-20/h4-13H,1-3H3,(H,26,28)(H,27,29)
InChIKeyYJIYZGJXMLWNFO-UHFFFAOYSA-N
XLogP5.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 146983467
CID 146983467
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(4-fluorophenyl)-3-methylnaphthalene-2-carboxamide
CID 91032994
5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide
CID 159956422
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 146306789
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
CID 122618951
N-[4-(1-aminoethyl)phenyl]-5-fluoro-2-methylbenzamide
CID 63047898
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-5-fluoro-2-methylbenzamide
CID 56794258

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide (CID 146306696) is 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide is Cc1ccc(-c2cccc3c2C(C)(C)C(=O)N3)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide?
The InChIKey is YJIYZGJXMLWNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-14-7-8-15(13-19(14)22(28)26-17-11-9-16(25)10-12-17)18-5-4-6-20-21(18)24(2,3)23(29)27-20/h4-13H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide?
5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide has a molecular weight of 388.44 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 146306696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).