N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride

C15H17ClN2O2 — CID 172831967

IUPACN-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(N)cc1C.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-10-8-12(16)13(9-14(10)19-2)17-15(18)11-6-4-3-5-7-11;/h3-9H,16H2,1-2H3,(H,17,18);1H
InChIKeyVQCDBJKTBXHLCZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.26
Rot. Bonds3

About N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride

N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride (PubChem CID 172831967) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
PubChem CID172831967
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(N)cc1C.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-10-8-12(16)13(9-14(10)19-2)17-15(18)11-6-4-3-5-7-11;/h3-9H,16H2,1-2H3,(H,17,18);1H
InChIKeyVQCDBJKTBXHLCZ-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.26
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-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen
CID 142075017
N-[4-(fluoroamino)-2,5-dimethoxyphenyl]benzamide
CID 142075014
N-(2,5-dimethoxy-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110777790
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
N-[5-methoxy-2-methyl-4-(phenylcarbamoylamino)phenyl]benzamide
CID 3546373
N-[4-(chlorodiazenyl)-5-methoxy-2-methylphenyl]benzamide
CID 50936931
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride (CID 172831967) is N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride is COc1cc(NC(=O)c2ccccc2)c(N)cc1C.Cl.
What is the InChIKey of N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride?
The InChIKey is VQCDBJKTBXHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c1-10-8-12(16)13(9-14(10)19-2)17-15(18)11-6-4-3-5-7-11;/h3-9H,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride?
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride is sourced from PubChem (CID 172831967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).