N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide

C24H23FN2O2 — CID 3415360

IUPACN-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C24H23FN2O2/c1-16-10-9-11-17(2)21(16)26-23(28)22(18-12-5-4-6-13-18)27(3)24(29)19-14-7-8-15-20(19)25/h4-15,22H,1-3H3,(H,26,28)
InChIKeyLXFAZXIBUIMJCD-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.89
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide

N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide (PubChem CID 3415360) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
PubChem CID3415360
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide
SMILESCc1cccc(C)c1NC(=O)C(c1ccccc1)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C24H23FN2O2/c1-16-10-9-11-17(2)21(16)26-23(28)22(18-12-5-4-6-13-18)27(3)24(29)19-14-7-8-15-20(19)25/h4-15,22H,1-3H3,(H,26,28)
InChIKeyLXFAZXIBUIMJCD-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-2-(2,6-dimethylanilino)-1-(3-nitrophenyl)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 1104140
N-[(1S)-2-(2,6-dimethylanilino)-1-(2-nitrophenyl)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 31139234
N-[(1R)-2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-N-methylpyridine-2-carboxamide
CID 1078828
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
N-[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51606045
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-[cyano(phenyl)methyl]-2-fluoro-N-methylbenzamide
CID 82123298
tert-butyl N-[1-[[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18043593
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-[2-(2,6-dimethylanilino)-1-(furan-2-yl)-2-oxoethyl]-2-fluorobenzamide
CID 3308582
2-anilino-N-(2,6-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 71729422
N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)-2-oxoethyl]amino]-2-(4-nitrophenyl)acetamide
CID 57348887

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide (CID 3415360) is N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide is Cc1cccc(C)c1NC(=O)C(c1ccccc1)N(C)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide?
The InChIKey is LXFAZXIBUIMJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-16-10-9-11-17(2)21(16)26-23(28)22(18-12-5-4-6-13-18)27(3)24(29)19-14-7-8-15-20(19)25/h4-15,22H,1-3H3,(H,26,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide?
N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide has a molecular weight of 390.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 3415360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).