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

C14H7Cl2F4NO — CID 17168217

IUPAC2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H7Cl2F4NO/c15-11-4-2-8(6-10(11)14(18,19)20)21-13(22)9-3-1-7(17)5-12(9)16/h1-6H,(H,21,22)
InChIKeyDNNHFOVTSJPASV-UHFFFAOYSA-N
MW352.11 g/mol
LogP5.40
Rot. Bonds2

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

2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide (PubChem CID 17168217) has the molecular formula C14H7Cl2F4NO and a molecular weight of 352.11 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
PubChem CID17168217
Molecular FormulaC14H7Cl2F4NO
Molecular Weight352.11 g/mol
Exact Mass350.98
IUPAC Name2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H7Cl2F4NO/c15-11-4-2-8(6-10(11)14(18,19)20)21-13(22)9-3-1-7(17)5-12(9)16/h1-6H,(H,21,22)
InChIKeyDNNHFOVTSJPASV-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.11
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516
N-[4-chloro-3-(trifluoromethyl)phenyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110427041
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007173
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide (CID 17168217) is 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
The InChIKey is DNNHFOVTSJPASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F4NO/c15-11-4-2-8(6-10(11)14(18,19)20)21-13(22)9-3-1-7(17)5-12(9)16/h1-6H,(H,21,22).
What are the key properties of 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide?
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide has a molecular weight of 352.11 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 17168217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).