3-chloro-2-(2,4,6-trichlorophenyl)benzamide

C13H7Cl4NO — CID 134630611

IUPAC3-chloro-2-(2,4,6-trichlorophenyl)benzamide
SMILESNC(=O)c1cccc(Cl)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4NO/c14-6-4-9(16)12(10(17)5-6)11-7(13(18)19)2-1-3-8(11)15/h1-5H,(H2,18,19)
InChIKeyMGJKKYUSZHCBOV-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.07
Rot. Bonds2

About 3-chloro-2-(2,4,6-trichlorophenyl)benzamide

3-chloro-2-(2,4,6-trichlorophenyl)benzamide (PubChem CID 134630611) has the molecular formula C13H7Cl4NO and a molecular weight of 335.02 g/mol. Its IUPAC name is 3-chloro-2-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-(2,4,6-trichlorophenyl)benzamide
PubChem CID134630611
Molecular FormulaC13H7Cl4NO
Molecular Weight335.02 g/mol
Exact Mass332.93
IUPAC Name3-chloro-2-(2,4,6-trichlorophenyl)benzamide
SMILESNC(=O)c1cccc(Cl)c1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H7Cl4NO/c14-6-4-9(16)12(10(17)5-6)11-7(13(18)19)2-1-3-8(11)15/h1-5H,(H2,18,19)
InChIKeyMGJKKYUSZHCBOV-UHFFFAOYSA-N
XLogP5.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dichlorophenyl)benzamide
CID 67032434
2-chloro-6-(2,4,6-trichlorophenyl)benzamide
CID 134622766
2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464
2,3-dichlorobenzamide;hydron
CID 69226563
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874
2,6-dichlorobenzamide;hydrochloride
CID 172775002
(3-chloro-2-fluorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 105348938
N-carbamothioyl-2-chlorobenzamide
CID 3909253
2-benzyl-3-chlorobenzamide
CID 23225157
2-[3-chloro-2-(2,4,6-trichlorophenyl)phenyl]ethanamine
CID 134630613
2-(2-carboxyphenyl)-3,5-dichlorobenzoic acid
CID 14174396
1,3,5-trichloro-2-(2-chloro-6-nitrophenyl)benzene
CID 134621032

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 3-chloro-2-(2,4,6-trichlorophenyl)benzamide (CID 134630611) is 3-chloro-2-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 3-chloro-2-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 3-chloro-2-(2,4,6-trichlorophenyl)benzamide is NC(=O)c1cccc(Cl)c1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-2-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is MGJKKYUSZHCBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO/c14-6-4-9(16)12(10(17)5-6)11-7(13(18)19)2-1-3-8(11)15/h1-5H,(H2,18,19).
What are the key properties of 3-chloro-2-(2,4,6-trichlorophenyl)benzamide?
3-chloro-2-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 335.02 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 134630611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).