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

C13H7Cl4NO — CID 134622714

IUPAC2-chloro-6-(2,3,6-trichlorophenyl)benzamide
SMILESNC(=O)c1c(Cl)cccc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-7-3-1-2-6(11(7)13(18)19)10-8(15)4-5-9(16)12(10)17/h1-5H,(H2,18,19)
InChIKeyCKMKDCJTQJUYHP-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.07
Rot. Bonds2

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

2-chloro-6-(2,3,6-trichlorophenyl)benzamide (PubChem CID 134622714) has the molecular formula C13H7Cl4NO and a molecular weight of 335.02 g/mol. Its IUPAC name is 2-chloro-6-(2,3,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(2,3,6-trichlorophenyl)benzamide
PubChem CID134622714
Molecular FormulaC13H7Cl4NO
Molecular Weight335.02 g/mol
Exact Mass332.93
IUPAC Name2-chloro-6-(2,3,6-trichlorophenyl)benzamide
SMILESNC(=O)c1c(Cl)cccc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-7-3-1-2-6(11(7)13(18)19)10-8(15)4-5-9(16)12(10)17/h1-5H,(H2,18,19)
InChIKeyCKMKDCJTQJUYHP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2,4,6-trichlorophenyl)benzamide
CID 134622766
2-chloro-6-(2,3,6-trichlorophenyl)phenol
CID 134620442
2,6-dichlorobenzamide;hydrochloride
CID 172775002
2-(2,6-dichlorophenyl)benzamide
CID 67032434
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
3,4,5-trichlorofluoren-9-one
CID 82579530
2,3-dichlorobenzamide;hydron
CID 69226563
2-chloro-6-(methylamino)benzamide
CID 58906344
1,2,4-trichloro-3-[3-(difluoromethyl)-2-fluorophenyl]benzene
CID 134622465
2-chloro-6-(2-chlorophenyl)benzoic acid
CID 53225809
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
3-chloro-2-(2,4,6-trichlorophenyl)benzamide
CID 134630611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3,6-trichlorophenyl)benzamide?
The IUPAC name of 2-chloro-6-(2,3,6-trichlorophenyl)benzamide (CID 134622714) is 2-chloro-6-(2,3,6-trichlorophenyl)benzamide.
What is the SMILES notation for 2-chloro-6-(2,3,6-trichlorophenyl)benzamide?
The canonical SMILES for 2-chloro-6-(2,3,6-trichlorophenyl)benzamide is NC(=O)c1c(Cl)cccc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2-chloro-6-(2,3,6-trichlorophenyl)benzamide?
The InChIKey is CKMKDCJTQJUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO/c14-7-3-1-2-6(11(7)13(18)19)10-8(15)4-5-9(16)12(10)17/h1-5H,(H2,18,19).
What are the key properties of 2-chloro-6-(2,3,6-trichlorophenyl)benzamide?
2-chloro-6-(2,3,6-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 2-chloro-6-(2,3,6-trichlorophenyl)benzamide is sourced from PubChem (CID 134622714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).