4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide

C14H10ClF3N2O — CID 62154697

IUPAC4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c15-9-2-4-10(5-3-9)20-13(21)8-1-6-12(19)11(7-8)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyRWGZFSLIJYQLFN-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.19
Rot. Bonds2

About 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide

4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 62154697) has the molecular formula C14H10ClF3N2O and a molecular weight of 314.69 g/mol. Its IUPAC name is 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
PubChem CID62154697
Molecular FormulaC14H10ClF3N2O
Molecular Weight314.69 g/mol
Exact Mass314.04
IUPAC Name4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C14H10ClF3N2O/c15-9-2-4-10(5-3-9)20-13(21)8-1-6-12(19)11(7-8)14(16,17)18/h1-7H,19H2,(H,20,21)
InChIKeyRWGZFSLIJYQLFN-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide 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

3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
4-amino-N-[3-[(3-aminobenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 135301189
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide (CID 62154697) is 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide is Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is RWGZFSLIJYQLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O/c15-9-2-4-10(5-3-9)20-13(21)8-1-6-12(19)11(7-8)14(16,17)18/h1-7H,19H2,(H,20,21).
What are the key properties of 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide?
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 314.69 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).