3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

C18H17F3N2O2 — CID 110622812

IUPAC3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3N2O2/c1-12(13-5-3-2-4-6-13)11-16(24)22-14-7-9-15(10-8-14)23-17(25)18(19,20)21/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyRBQLAEXREQHSIH-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.32
Rot. Bonds5

About 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide

3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (PubChem CID 110622812) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
PubChem CID110622812
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide
SMILESCC(CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C18H17F3N2O2/c1-12(13-5-3-2-4-6-13)11-16(24)22-14-7-9-15(10-8-14)23-17(25)18(19,20)21/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyRBQLAEXREQHSIH-UHFFFAOYSA-N
XLogP4.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
2-methyl-3-[4-(3-phenylbutanoylamino)phenyl]propanoic acid
CID 120540601
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-3-phenylbutanamide
CID 11359314
N,3-bis(4-methylphenyl)butanamide
CID 2750905
(3R)-N,3-bis(4-methylphenyl)butanamide
CID 7054484
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 42960098
2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide
CID 174555977
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
(3S)-N-(3,5-dimethoxyphenyl)-3-phenylbutanamide
CID 8005275

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The IUPAC name of 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide (CID 110622812) is 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide.
What is the SMILES notation for 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The canonical SMILES for 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is CC(CC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
The InChIKey is RBQLAEXREQHSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-12(13-5-3-2-4-6-13)11-16(24)22-14-7-9-15(10-8-14)23-17(25)18(19,20)21/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide?
3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide has a molecular weight of 350.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 110622812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).