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

C14H8ClF4NO — CID 26274156

IUPAC4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8ClF4NO/c15-9-4-5-11(12(16)7-9)13(21)20-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H,20,21)
InChIKeyFCQHVRCTTGKCHD-UHFFFAOYSA-N
MW317.67 g/mol
LogP4.75
Rot. Bonds2

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

4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 26274156) has the molecular formula C14H8ClF4NO and a molecular weight of 317.67 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID26274156
Molecular FormulaC14H8ClF4NO
Molecular Weight317.67 g/mol
Exact Mass317.02
IUPAC Name4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H8ClF4NO/c15-9-4-5-11(12(16)7-9)13(21)20-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H,20,21)
InChIKeyFCQHVRCTTGKCHD-UHFFFAOYSA-N
XLogP4.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.67
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
4-cyano-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 833847
2,3,4,5-tetrafluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4542565
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
4-chloro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10109069
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264564
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide (CID 26274156) is 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FCQHVRCTTGKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO/c15-9-4-5-11(12(16)7-9)13(21)20-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H,20,21).
What are the key properties of 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide?
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 317.67 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26274156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).