5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide

C15H15ClN2O2 — CID 61093558

IUPAC5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-3-5-13(12(16)7-9)18-15(19)11-8-10(17)4-6-14(11)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyBLLMEKDBWSWKHS-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.49
Rot. Bonds3

About 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide

5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide (PubChem CID 61093558) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
PubChem CID61093558
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-3-5-13(12(16)7-9)18-15(19)11-8-10(17)4-6-14(11)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyBLLMEKDBWSWKHS-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.49
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

N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
5-amino-N-(2-bromo-4-chlorophenyl)-2-methoxybenzamide
CID 81262169
5-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methoxybenzamide
CID 61094355
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
CID 28546769
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide?
The IUPAC name of 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide (CID 61093558) is 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide is COc1ccc(N)cc1C(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide?
The InChIKey is BLLMEKDBWSWKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-3-5-13(12(16)7-9)18-15(19)11-8-10(17)4-6-14(11)20-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide?
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 61093558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).