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

C14H8Cl2F3NO — CID 801601

IUPAC2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C14H8Cl2F3NO/c15-8-5-6-12(10(7-8)14(17,18)19)20-13(21)9-3-1-2-4-11(9)16/h1-7H,(H,20,21)
InChIKeyNDSFMEYOPPFZIW-UHFFFAOYSA-N
MW334.12 g/mol
LogP5.26
Rot. Bonds2

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

2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 801601) has the molecular formula C14H8Cl2F3NO and a molecular weight of 334.12 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
PubChem CID801601
Molecular FormulaC14H8Cl2F3NO
Molecular Weight334.12 g/mol
Exact Mass332.99
IUPAC Name2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C14H8Cl2F3NO/c15-8-5-6-12(10(7-8)14(17,18)19)20-13(21)9-3-1-2-4-11(9)16/h1-7H,(H,20,21)
InChIKeyNDSFMEYOPPFZIW-UHFFFAOYSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.12
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
CID 4643198
N-[4-[(2-chlorobenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43041357
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
1-[2-(2-chlorophenyl)ethyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108900378
N-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17172977
3,5-dibromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 4209824
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-sulfanylphenyl)urea
CID 108886509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (CID 801601) is 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NDSFMEYOPPFZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO/c15-8-5-6-12(10(7-8)14(17,18)19)20-13(21)9-3-1-2-4-11(9)16/h1-7H,(H,20,21).
What are the key properties of 2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 334.12 g/mol, XLogP of 5.26, 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-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 801601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).