N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide

C24H21F3N2O2 — CID 141139573

IUPACN-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide
SMILESCCN(C)C(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C24H21F3N2O2/c1-3-29(2)23(31)18-12-7-8-15-20(18)28-22(30)21-17(16-10-5-4-6-11-16)13-9-14-19(21)24(25,26)27/h4-15H,3H2,1-2H3,(H,28,30)
InChIKeyHJLVVBMQXBEJDJ-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.72
Rot. Bonds5

About N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide

N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide (PubChem CID 141139573) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide
PubChem CID141139573
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide
SMILESCCN(C)C(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C24H21F3N2O2/c1-3-29(2)23(31)18-12-7-8-15-20(18)28-22(30)21-17(16-10-5-4-6-11-16)13-9-14-19(21)24(25,26)27/h4-15H,3H2,1-2H3,(H,28,30)
InChIKeyHJLVVBMQXBEJDJ-UHFFFAOYSA-N
XLogP5.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[3-(dimethylcarbamoyl)-4-[[2-phenyl-6-(trifluoromethyl)benzoyl]amino]phenyl]propanoate
CID 141251877
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
2-(tert-butylamino)-N-ethyl-N-methylbenzamide
CID 18630229
benzyl 4-[4-[3-(dimethylcarbamoyl)-4-[[2-phenyl-6-(trifluoromethyl)benzoyl]amino]phenyl]butanoyloxy]benzoate
CID 141251868
methyl 4-[4-[3-(dimethylcarbamoyl)-4-[[2-phenyl-6-(trifluoromethyl)benzoyl]amino]phenyl]butanoyloxy]-3-propan-2-ylbenzoate
CID 141251846
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1294778
N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide
CID 69225051
2-methyl-5-phenyl-N-[2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 16650690
2-phenyl-N-quinolin-8-yl-6-(2-triethylsilylethyl)benzamide
CID 177432131

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide (CID 141139573) is N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide is CCN(C)C(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)cccc1C(F)(F)F.
What is the InChIKey of N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide?
The InChIKey is HJLVVBMQXBEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-3-29(2)23(31)18-12-7-8-15-20(18)28-22(30)21-17(16-10-5-4-6-11-16)13-9-14-19(21)24(25,26)27/h4-15H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide?
N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide has a molecular weight of 426.44 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)carbamoyl]phenyl]-2-phenyl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 141139573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).