2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide

C16H19N3O — CID 115545852

IUPAC2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
SMILESCc1cccc(CCNc2cccc(C(N)=O)c2N)c1
InChIInChI=1S/C16H19N3O/c1-11-4-2-5-12(10-11)8-9-19-14-7-3-6-13(15(14)17)16(18)20/h2-7,10,19H,8-9,17H2,1H3,(H2,18,20)
InChIKeyMSWJYYGMIPHYEY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide

2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide (PubChem CID 115545852) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
PubChem CID115545852
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
SMILESCc1cccc(CCNc2cccc(C(N)=O)c2N)c1
InChIInChI=1S/C16H19N3O/c1-11-4-2-5-12(10-11)8-9-19-14-7-3-6-13(15(14)17)16(18)20/h2-7,10,19H,8-9,17H2,1H3,(H2,18,20)
InChIKeyMSWJYYGMIPHYEY-UHFFFAOYSA-N
XLogP2.33
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.33
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-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 62315021
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314848
2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
methyl 3-amino-4-[2-(3-methylphenyl)ethylamino]benzoate
CID 62313420
5-bromo-2-[2-(3-methylphenyl)ethylamino]benzoic acid
CID 114895477
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
4-[2-(3-methylphenyl)ethylamino]benzenecarbothioamide
CID 62314669
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114129004
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide?
The IUPAC name of 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide (CID 115545852) is 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide.
What is the SMILES notation for 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide?
The canonical SMILES for 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide is Cc1cccc(CCNc2cccc(C(N)=O)c2N)c1.
What is the InChIKey of 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide?
The InChIKey is MSWJYYGMIPHYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-4-2-5-12(10-11)8-9-19-14-7-3-6-13(15(14)17)16(18)20/h2-7,10,19H,8-9,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide?
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide is sourced from PubChem (CID 115545852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).