4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide

C15H14Cl2N2O2 — CID 82814045

IUPAC4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)c(O)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-7-3-8(2)14(20)12(4-7)19-15(21)9-5-10(16)13(18)11(17)6-9/h3-6,20H,18H2,1-2H3,(H,19,21)
InChIKeyVSKJSYFEIXGXGR-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.15
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide

4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide (PubChem CID 82814045) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
PubChem CID82814045
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
SMILESCc1cc(C)c(O)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-7-3-8(2)14(20)12(4-7)19-15(21)9-5-10(16)13(18)11(17)6-9/h3-6,20H,18H2,1-2H3,(H,19,21)
InChIKeyVSKJSYFEIXGXGR-UHFFFAOYSA-N
XLogP4.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
4-amino-3,5-dichloro-N-(2,3-dimethylphenyl)benzamide
CID 82826777
4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 82812467
4-amino-N-(2-bromo-3-methylphenyl)-3,5-dichlorobenzamide
CID 82833101
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
4-amino-3,5-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 82786177
4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
4-amino-2-fluoro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 107794653
4-amino-3,5-dichloro-N-(2-hydroxy-4-methoxyphenyl)benzamide
CID 102695314

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide (CID 82814045) is 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide is Cc1cc(C)c(O)c(NC(=O)c2cc(Cl)c(N)c(Cl)c2)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
The InChIKey is VSKJSYFEIXGXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-7-3-8(2)14(20)12(4-7)19-15(21)9-5-10(16)13(18)11(17)6-9/h3-6,20H,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide?
4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide has a molecular weight of 325.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide is sourced from PubChem (CID 82814045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).