3-amino-N-methylbenzamide;2-methylbenzamide

C16H19N3O2 — CID 161133273

IUPAC3-amino-N-methylbenzamide;2-methylbenzamide
SMILESCNC(=O)c1cccc(N)c1.Cc1ccccc1C(N)=O
InChIInChI=1S/C8H10N2O.C8H9NO/c1-10-8(11)6-3-2-4-7(9)5-6;1-6-4-2-3-5-7(6)8(9)10/h2-5H,9H2,1H3,(H,10,11);2-5H,1H3,(H2,9,10)
InChIKeyUMLYZZKMEIMQLG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds2

About 3-amino-N-methylbenzamide;2-methylbenzamide

3-amino-N-methylbenzamide;2-methylbenzamide (PubChem CID 161133273) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-methylbenzamide;2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-methylbenzamide;2-methylbenzamide
PubChem CID161133273
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-methylbenzamide;2-methylbenzamide
SMILESCNC(=O)c1cccc(N)c1.Cc1ccccc1C(N)=O
InChIInChI=1S/C8H10N2O.C8H9NO/c1-10-8(11)6-3-2-4-7(9)5-6;1-6-4-2-3-5-7(6)8(9)10/h2-5H,9H2,1H3,(H,10,11);2-5H,1H3,(H2,9,10)
InChIKeyUMLYZZKMEIMQLG-UHFFFAOYSA-N
XLogP1.72
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
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

ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
CID 143405821
methyl 3-aminobenzoate;1,2-xylene
CID 174602460
2-methylbenzamide;molecular hydrogen
CID 177161283
N-(3-aminobenzoyl)-2-chlorobenzamide
CID 91252529
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
benzamido 2-methylbenzoate
CID 5260358
3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 78913286
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229
2-amino-3-(2-methylanilino)benzamide
CID 113332516

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methylbenzamide;2-methylbenzamide?
The IUPAC name of 3-amino-N-methylbenzamide;2-methylbenzamide (CID 161133273) is 3-amino-N-methylbenzamide;2-methylbenzamide.
What is the SMILES notation for 3-amino-N-methylbenzamide;2-methylbenzamide?
The canonical SMILES for 3-amino-N-methylbenzamide;2-methylbenzamide is CNC(=O)c1cccc(N)c1.Cc1ccccc1C(N)=O.
What is the InChIKey of 3-amino-N-methylbenzamide;2-methylbenzamide?
The InChIKey is UMLYZZKMEIMQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C8H9NO/c1-10-8(11)6-3-2-4-7(9)5-6;1-6-4-2-3-5-7(6)8(9)10/h2-5H,9H2,1H3,(H,10,11);2-5H,1H3,(H2,9,10).
What are the key properties of 3-amino-N-methylbenzamide;2-methylbenzamide?
3-amino-N-methylbenzamide;2-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylbenzamide;2-methylbenzamide is sourced from PubChem (CID 161133273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).