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

C15H8F6N2O2 — CID 174970180

IUPACN-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C(F)(F)F)c1F)c1cccc(F)c1
InChIInChI=1S/C15H8F6N2O2/c16-8-3-1-2-7(6-8)13(24)22-10-5-4-9(17)12(11(10)18)23-14(25)15(19,20)21/h1-6H,(H,22,24)(H,23,25)
InChIKeyBQFLBMHEHBDVJL-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.86
Rot. Bonds3

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

N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide (PubChem CID 174970180) has the molecular formula C15H8F6N2O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide
PubChem CID174970180
Molecular FormulaC15H8F6N2O2
Molecular Weight362.23 g/mol
Exact Mass362.05
IUPAC NameN-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(NC(=O)C(F)(F)F)c1F)c1cccc(F)c1
InChIInChI=1S/C15H8F6N2O2/c16-8-3-1-2-7(6-8)13(24)22-10-5-4-9(17)12(11(10)18)23-14(25)15(19,20)21/h1-6H,(H,22,24)(H,23,25)
InChIKeyBQFLBMHEHBDVJL-UHFFFAOYSA-N
XLogP3.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-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-[2,6-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-methylbenzamide
CID 174970141
N-[3-[(2,2-difluoroacetyl)amino]-2,6-difluorophenyl]-3-methylbenzamide
CID 174970231
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-[2,4-difluoro-3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 175986307
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide (CID 174970180) is N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide is O=C(Nc1ccc(F)c(NC(=O)C(F)(F)F)c1F)c1cccc(F)c1.
What is the InChIKey of N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide?
The InChIKey is BQFLBMHEHBDVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O2/c16-8-3-1-2-7(6-8)13(24)22-10-5-4-9(17)12(11(10)18)23-14(25)15(19,20)21/h1-6H,(H,22,24)(H,23,25).
What are the key properties of N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide?
N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide has a molecular weight of 362.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[(2,2,2-trifluoroacetyl)amino]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 174970180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).