4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide

C14H11Cl2NO2 — CID 163288303

IUPAC4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(Cl)cc(NC(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H11Cl2NO2/c1-8-6-11(16)7-12(13(8)18)17-14(19)9-2-4-10(15)5-3-9/h2-7,18H,1H3,(H,17,19)
InChIKeyUOCKXJSWQAKKGI-UHFFFAOYSA-N
MW296.15 g/mol
LogP4.26
Rot. Bonds2

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

4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide (PubChem CID 163288303) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
PubChem CID163288303
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(Cl)cc(NC(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C14H11Cl2NO2/c1-8-6-11(16)7-12(13(8)18)17-14(19)9-2-4-10(15)5-3-9/h2-7,18H,1H3,(H,17,19)
InChIKeyUOCKXJSWQAKKGI-UHFFFAOYSA-N
XLogP4.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
4-chloro-N-[3-[(4-chlorobenzoyl)amino]-2,4,6-trimethylphenyl]benzamide
CID 1268889
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide (CID 163288303) is 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide is Cc1cc(Cl)cc(NC(=O)c2ccc(Cl)cc2)c1O.
What is the InChIKey of 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide?
The InChIKey is UOCKXJSWQAKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-8-6-11(16)7-12(13(8)18)17-14(19)9-2-4-10(15)5-3-9/h2-7,18H,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide?
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide has a molecular weight of 296.15 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide is sourced from PubChem (CID 163288303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).