2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide

C14H8ClF4NO2 — CID 26643241

IUPAC2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8ClF4NO2/c15-12-7-8(16)1-6-11(12)13(21)20-9-2-4-10(5-3-9)22-14(17,18)19/h1-7H,(H,20,21)
InChIKeyPZNGDUVBCZBXFT-UHFFFAOYSA-N
MW333.67 g/mol
LogP4.63
Rot. Bonds3

About 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide

2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 26643241) has the molecular formula C14H8ClF4NO2 and a molecular weight of 333.67 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID26643241
Molecular FormulaC14H8ClF4NO2
Molecular Weight333.67 g/mol
Exact Mass333.02
IUPAC Name2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H8ClF4NO2/c15-12-7-8(16)1-6-11(12)13(21)20-9-2-4-10(5-3-9)22-14(17,18)19/h1-7H,(H,20,21)
InChIKeyPZNGDUVBCZBXFT-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
CID 13251606
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55364252
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
1-(2-chloro-4-fluorophenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 53489241
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 26643241) is 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is PZNGDUVBCZBXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO2/c15-12-7-8(16)1-6-11(12)13(21)20-9-2-4-10(5-3-9)22-14(17,18)19/h1-7H,(H,20,21).
What are the key properties of 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide?
2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 333.67 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 26643241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).