N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride

C19H22ClN3O3 — CID 119420415

IUPACN-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1N.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-22(19(24)12-7-8-12)16-6-4-3-5-14(16)18(23)21-13-9-10-17(25-2)15(20)11-13;/h3-6,9-12H,7-8,20H2,1-2H3,(H,21,23);1H
InChIKeyHXYAHAZURLKASP-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.32
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride (PubChem CID 119420415) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride
PubChem CID119420415
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1N.Cl
InChIInChI=1S/C19H21N3O3.ClH/c1-22(19(24)12-7-8-12)16-6-4-3-5-14(16)18(23)21-13-9-10-17(25-2)15(20)11-13;/h3-6,9-12H,7-8,20H2,1-2H3,(H,21,23);1H
InChIKeyHXYAHAZURLKASP-UHFFFAOYSA-N
XLogP3.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
2-[3-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]phenyl]acetic acid
CID 119351711
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
CID 119419715
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
N-(3-amino-4-ethoxyphenyl)-2-methoxybenzamide
CID 70635969
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-amino-4-methoxyphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119419992
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride (CID 119420415) is N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride is COc1ccc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1N.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride?
The InChIKey is HXYAHAZURLKASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.ClH/c1-22(19(24)12-7-8-12)16-6-4-3-5-14(16)18(23)21-13-9-10-17(25-2)15(20)11-13;/h3-6,9-12H,7-8,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride has a molecular weight of 375.86 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119420415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).