N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide

C23H19F3N2O2 — CID 11269901

IUPACN-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESNc1ccc(NC(=O)CCc2ccccc2C(F)(F)F)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)19-9-5-4-6-15(19)10-13-21(29)28-20-12-11-17(27)14-18(20)22(30)16-7-2-1-3-8-16/h1-9,11-12,14H,10,13,27H2,(H,28,29)
InChIKeyQVZHJFWVHZYPDY-UHFFFAOYSA-N
MW412.41 g/mol
LogP5.09
Rot. Bonds6

About N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide

N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 11269901) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID11269901
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESNc1ccc(NC(=O)CCc2ccccc2C(F)(F)F)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)19-9-5-4-6-15(19)10-13-21(29)28-20-12-11-17(27)14-18(20)22(30)16-7-2-1-3-8-16/h1-9,11-12,14H,10,13,27H2,(H,28,29)
InChIKeyQVZHJFWVHZYPDY-UHFFFAOYSA-N
XLogP5.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.41
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-benzoylphenyl)-3,5,5-trimethylhexanamide
CID 11024594
4-(2-benzoyl-4-fluoroanilino)-4-oxobutanoic acid
CID 167845601
N-(4-amino-2-methylquinolin-6-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 73056183
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272931
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
2-[2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetic acid
CID 91659625
4-[2-(trifluoromethyl)phenyl]butan-2-one
CID 11746021
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] benzoate
CID 2517299
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide (CID 11269901) is N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide is Nc1ccc(NC(=O)CCc2ccccc2C(F)(F)F)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QVZHJFWVHZYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c24-23(25,26)19-9-5-4-6-15(19)10-13-21(29)28-20-12-11-17(27)14-18(20)22(30)16-7-2-1-3-8-16/h1-9,11-12,14H,10,13,27H2,(H,28,29).
What are the key properties of N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide?
N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 412.41 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 11269901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).