3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide

C13H7Cl4NO2 — CID 69255811

IUPAC3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cccc(Cl)c1O
InChIInChI=1S/C13H7Cl4NO2/c14-8-3-1-2-7(12(8)19)13(20)18-6-4-9(15)11(17)10(16)5-6/h1-5,19H,(H,18,20)
InChIKeyIWGYYXZUELXQIX-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.26
Rot. Bonds2

About 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide

3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide (PubChem CID 69255811) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide
PubChem CID69255811
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide
SMILESO=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cccc(Cl)c1O
InChIInChI=1S/C13H7Cl4NO2/c14-8-3-1-2-7(12(8)19)13(20)18-6-4-9(15)11(17)10(16)5-6/h1-5,19H,(H,18,20)
InChIKeyIWGYYXZUELXQIX-UHFFFAOYSA-N
XLogP5.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.02
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-hydroxybenzohydrazide;hydrochloride
CID 130771033
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2,3-dichloro-N-phenylbenzamide
CID 7732866
5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylate
CID 3603444
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
2-chloro-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzamide
CID 56697988
2-chloro-5-[(2,3-dihydroxybenzoyl)amino]benzoic acid
CID 114343292
3-amino-N-(4-bromo-3-chlorophenyl)-2-hydroxybenzamide
CID 107618385
5-chloro-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 17102050
N-(3,5-dichloro-4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 108808083
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide?
The IUPAC name of 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide (CID 69255811) is 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide.
What is the SMILES notation for 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide?
The canonical SMILES for 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide is O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide?
The InChIKey is IWGYYXZUELXQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-8-3-1-2-7(12(8)19)13(20)18-6-4-9(15)11(17)10(16)5-6/h1-5,19H,(H,18,20).
What are the key properties of 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide?
3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide has a molecular weight of 351.02 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-N-(3,4,5-trichlorophenyl)benzamide is sourced from PubChem (CID 69255811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).