2,3,6-trichloro-N-(4-chlorophenyl)benzamide

C13H7Cl4NO — CID 19171109

IUPAC2,3,6-trichloro-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-7-1-3-8(4-2-7)18-13(19)11-9(15)5-6-10(16)12(11)17/h1-6H,(H,18,19)
InChIKeyJBGDGUIISRYMQW-UHFFFAOYSA-N
MW335.02 g/mol
LogP5.55
Rot. Bonds2

About 2,3,6-trichloro-N-(4-chlorophenyl)benzamide

2,3,6-trichloro-N-(4-chlorophenyl)benzamide (PubChem CID 19171109) has the molecular formula C13H7Cl4NO and a molecular weight of 335.02 g/mol. Its IUPAC name is 2,3,6-trichloro-N-(4-chlorophenyl)benzamide.

Molecular Properties

Compound Name2,3,6-trichloro-N-(4-chlorophenyl)benzamide
PubChem CID19171109
Molecular FormulaC13H7Cl4NO
Molecular Weight335.02 g/mol
Exact Mass332.93
IUPAC Name2,3,6-trichloro-N-(4-chlorophenyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4NO/c14-7-1-3-8(4-2-7)18-13(19)11-9(15)5-6-10(16)12(11)17/h1-6H,(H,18,19)
InChIKeyJBGDGUIISRYMQW-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.02
LogP ≤ 55.55
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

2,3,6-trichloro-N-pyridin-4-ylbenzamide
CID 59618030
2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 4656022
butyl 4-[(2,3,6-trichlorobenzoyl)amino]benzoate
CID 19171011
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-(2,5-dichlorophenyl)phenyl]-2,6-difluorobenzamide
CID 11222663

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trichloro-N-(4-chlorophenyl)benzamide?
The IUPAC name of 2,3,6-trichloro-N-(4-chlorophenyl)benzamide (CID 19171109) is 2,3,6-trichloro-N-(4-chlorophenyl)benzamide.
What is the SMILES notation for 2,3,6-trichloro-N-(4-chlorophenyl)benzamide?
The canonical SMILES for 2,3,6-trichloro-N-(4-chlorophenyl)benzamide is O=C(Nc1ccc(Cl)cc1)c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 2,3,6-trichloro-N-(4-chlorophenyl)benzamide?
The InChIKey is JBGDGUIISRYMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO/c14-7-1-3-8(4-2-7)18-13(19)11-9(15)5-6-10(16)12(11)17/h1-6H,(H,18,19).
What are the key properties of 2,3,6-trichloro-N-(4-chlorophenyl)benzamide?
2,3,6-trichloro-N-(4-chlorophenyl)benzamide has a molecular weight of 335.02 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trichloro-N-(4-chlorophenyl)benzamide is sourced from PubChem (CID 19171109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).