N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide

C14H11Cl2NO3 — CID 103958263

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1O
InChIInChI=1S/C14H11Cl2NO3/c1-7-4-8(2-3-12(7)18)14(20)17-11-6-9(15)5-10(16)13(11)19/h2-6,18-19H,1H3,(H,17,20)
InChIKeyYZWHBFGLZAESQL-UHFFFAOYSA-N
MW312.15 g/mol
LogP3.97
Rot. Bonds2

About N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide

N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide (PubChem CID 103958263) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
PubChem CID103958263
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1O
InChIInChI=1S/C14H11Cl2NO3/c1-7-4-8(2-3-12(7)18)14(20)17-11-6-9(15)5-10(16)13(11)19/h2-6,18-19H,1H3,(H,17,20)
InChIKeyYZWHBFGLZAESQL-UHFFFAOYSA-N
XLogP3.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
N-(2-chlorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956204
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
N-(3,5-dichloro-2-hydroxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103891192
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103955332

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide (CID 103958263) is N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1O.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide?
The InChIKey is YZWHBFGLZAESQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c1-7-4-8(2-3-12(7)18)14(20)17-11-6-9(15)5-10(16)13(11)19/h2-6,18-19H,1H3,(H,17,20).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide?
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide has a molecular weight of 312.15 g/mol, XLogP of 3.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103958263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).