N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide

C14H9ClF4N2O — CID 16776516

IUPACN-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H9ClF4N2O/c15-11-5-7(16)1-3-9(11)13(22)21-8-2-4-12(20)10(6-8)14(17,18)19/h1-6H,20H2,(H,21,22)
InChIKeyXDGGFMAXJBBPDA-UHFFFAOYSA-N
MW332.68 g/mol
LogP4.33
Rot. Bonds2

About N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide

N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide (PubChem CID 16776516) has the molecular formula C14H9ClF4N2O and a molecular weight of 332.68 g/mol. Its IUPAC name is N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
PubChem CID16776516
Molecular FormulaC14H9ClF4N2O
Molecular Weight332.68 g/mol
Exact Mass332.03
IUPAC NameN-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
SMILESNc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H9ClF4N2O/c15-11-5-7(16)1-3-9(11)13(22)21-8-2-4-12(20)10(6-8)14(17,18)19/h1-6H,20H2,(H,21,22)
InChIKeyXDGGFMAXJBBPDA-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'}

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Related Compounds

2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
N-[2-amino-4-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16775252
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
2-amino-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11544848
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110427041

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide (CID 16776516) is N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide is Nc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
The InChIKey is XDGGFMAXJBBPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4N2O/c15-11-5-7(16)1-3-9(11)13(22)21-8-2-4-12(20)10(6-8)14(17,18)19/h1-6H,20H2,(H,21,22).
What are the key properties of N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide?
N-[4-amino-3-(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-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 16776516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).