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

C14H9ClF3NO — CID 801878

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H9ClF3NO/c15-10-6-7-12(11(8-10)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyIOCMCZNZGLYDMF-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.61
Rot. Bonds2

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

N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 801878) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
PubChem CID801878
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H9ClF3NO/c15-10-6-7-12(11(8-10)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h1-8H,(H,19,20)
InChIKeyIOCMCZNZGLYDMF-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055915
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 19916448
N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (CID 801878) is N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is IOCMCZNZGLYDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-10-6-7-12(11(8-10)14(16,17)18)19-13(20)9-4-2-1-3-5-9/h1-8H,(H,19,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 299.68 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 801878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).