3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide

C16H18N2O2 — CID 16792404

IUPAC3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1N
InChIInChI=1S/C16H18N2O2/c1-10-5-4-6-14(11(10)2)18-16(19)12-7-8-15(20-3)13(17)9-12/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyHLFTYWIXSUINIO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds3

About 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide

3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide (PubChem CID 16792404) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
PubChem CID16792404
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1N
InChIInChI=1S/C16H18N2O2/c1-10-5-4-6-14(11(10)2)18-16(19)12-7-8-15(20-3)13(17)9-12/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyHLFTYWIXSUINIO-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
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-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
2-amino-4-[(2,3-dimethylphenyl)carbamoyl]benzoic acid
CID 170549182
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
3-amino-N-(4-hydroxy-2-methylphenyl)-4-methoxybenzamide
CID 110468878
3-amino-N-(2-cyanophenyl)-4-methoxybenzamide
CID 16788313
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 110486424
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide (CID 16792404) is 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(C)c2C)cc1N.
What is the InChIKey of 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide?
The InChIKey is HLFTYWIXSUINIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-5-4-6-14(11(10)2)18-16(19)12-7-8-15(20-3)13(17)9-12/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide?
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide has a molecular weight of 270.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 16792404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).