2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride

C19H24ClN3O2 — CID 119945361

IUPAC2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
SMILESCc1ccc(NC(=O)c2ccccc2N)cc1NC(=O)C(C)(C)C.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-12-9-10-13(11-16(12)22-18(24)19(2,3)4)21-17(23)14-7-5-6-8-15(14)20;/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24);1H
InChIKeyQHEFEGRRWPCSDM-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.24
Rot. Bonds3

About 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride

2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride (PubChem CID 119945361) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
PubChem CID119945361
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride
SMILESCc1ccc(NC(=O)c2ccccc2N)cc1NC(=O)C(C)(C)C.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-12-9-10-13(11-16(12)22-18(24)19(2,3)4)21-17(23)14-7-5-6-8-15(14)20;/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24);1H
InChIKeyQHEFEGRRWPCSDM-UHFFFAOYSA-N
XLogP4.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538465
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 119780768
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119780709
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
N-(3-acetamido-4-methylphenyl)-2-iodobenzamide
CID 54777055
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
N-(4-acetamido-3-chlorophenyl)-2-aminobenzamide
CID 43402960
N'-(2-aminobenzoyl)-N-(3,4-dimethylphenyl)oxamide
CID 108523134

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride (CID 119945361) is 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride is Cc1ccc(NC(=O)c2ccccc2N)cc1NC(=O)C(C)(C)C.Cl.
What is the InChIKey of 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride?
The InChIKey is QHEFEGRRWPCSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-12-9-10-13(11-16(12)22-18(24)19(2,3)4)21-17(23)14-7-5-6-8-15(14)20;/h5-11H,20H2,1-4H3,(H,21,23)(H,22,24);1H.
What are the key properties of 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride?
2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]benzamide;hydrochloride is sourced from PubChem (CID 119945361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).