4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide

C15H14Cl2N2O2 — CID 82812467

IUPAC4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-3-4-13(21-2)12(5-8)19-15(20)9-6-10(16)14(18)11(17)7-9/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyMHCHPIBXMXRRJU-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.14
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide

4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 82812467) 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-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID82812467
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-3-4-13(21-2)12(5-8)19-15(20)9-6-10(16)14(18)11(17)7-9/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyMHCHPIBXMXRRJU-UHFFFAOYSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153220
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
4-formyl-N-(2-methoxy-5-methylphenyl)benzamide
CID 134025426
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
4-amino-3,5-dichloro-N-(2-hydroxy-3,5-dimethylphenyl)benzamide
CID 82814045

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide (CID 82812467) is 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is MHCHPIBXMXRRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-8-3-4-13(21-2)12(5-8)19-15(20)9-6-10(16)14(18)11(17)7-9/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide?
4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 325.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 82812467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).