N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide

C14H9ClF4N2O — CID 16775252

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H9ClF4N2O/c15-10-6-8(16)2-3-9(10)13(22)21-12-4-1-7(5-11(12)20)14(17,18)19/h1-6H,20H2,(H,21,22)
InChIKeyLJNDDRZPYWMGEV-UHFFFAOYSA-N
MW332.68 g/mol
LogP4.33
Rot. Bonds2

About N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide

N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide (PubChem CID 16775252) has the molecular formula C14H9ClF4N2O and a molecular weight of 332.68 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
PubChem CID16775252
Molecular FormulaC14H9ClF4N2O
Molecular Weight332.68 g/mol
Exact Mass332.03
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C14H9ClF4N2O/c15-10-6-8(16)2-3-9(10)13(22)21-12-4-1-7(5-11(12)20)14(17,18)19/h1-6H,20H2,(H,21,22)
InChIKeyLJNDDRZPYWMGEV-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.68
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide 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

N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
1-N-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107526797
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide (CID 16775252) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide is Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
The InChIKey is LJNDDRZPYWMGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O/c15-10-6-8(16)2-3-9(10)13(22)21-12-4-1-7(5-11(12)20)14(17,18)19/h1-6H,20H2,(H,21,22).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide has a molecular weight of 332.68 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 16775252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).