2-amino-3-(2-methylanilino)benzamide

C14H15N3O — CID 113332516

IUPAC2-amino-3-(2-methylanilino)benzamide
SMILESCc1ccccc1Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C14H15N3O/c1-9-5-2-3-7-11(9)17-12-8-4-6-10(13(12)15)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeyAAMPTIWYVOWPGV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-3-(2-methylanilino)benzamide

2-amino-3-(2-methylanilino)benzamide (PubChem CID 113332516) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-(2-methylanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-methylanilino)benzamide
PubChem CID113332516
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-amino-3-(2-methylanilino)benzamide
SMILESCc1ccccc1Nc1cccc(C(N)=O)c1N
InChIInChI=1S/C14H15N3O/c1-9-5-2-3-7-11(9)17-12-8-4-6-10(13(12)15)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeyAAMPTIWYVOWPGV-UHFFFAOYSA-N
XLogP2.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.42
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-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 115546575
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
CID 102807082
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
2-amino-3-(4-chloro-2-fluoroanilino)benzamide
CID 113332736
2-amino-3-(2-cyano-3-methylanilino)benzoic acid
CID 107800519
2-amino-3-(5-bromo-2-chloroanilino)benzamide
CID 113332933
2-amino-3-(3,4-dimethoxyanilino)benzamide
CID 115544343

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylanilino)benzamide?
The IUPAC name of 2-amino-3-(2-methylanilino)benzamide (CID 113332516) is 2-amino-3-(2-methylanilino)benzamide.
What is the SMILES notation for 2-amino-3-(2-methylanilino)benzamide?
The canonical SMILES for 2-amino-3-(2-methylanilino)benzamide is Cc1ccccc1Nc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(2-methylanilino)benzamide?
The InChIKey is AAMPTIWYVOWPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-5-2-3-7-11(9)17-12-8-4-6-10(13(12)15)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-3-(2-methylanilino)benzamide?
2-amino-3-(2-methylanilino)benzamide has a molecular weight of 241.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylanilino)benzamide is sourced from PubChem (CID 113332516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).