2-amino-3-[benzyl(methyl)amino]benzamide

C15H17N3O — CID 115544396

IUPAC2-amino-3-[benzyl(methyl)amino]benzamide
SMILESCN(Cc1ccccc1)c1cccc(C(N)=O)c1N
InChIInChI=1S/C15H17N3O/c1-18(10-11-6-3-2-4-7-11)13-9-5-8-12(14(13)16)15(17)19/h2-9H,10,16H2,1H3,(H2,17,19)
InChIKeyLFWFGPUKDPRYJN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.00
Rot. Bonds4

About 2-amino-3-[benzyl(methyl)amino]benzamide

2-amino-3-[benzyl(methyl)amino]benzamide (PubChem CID 115544396) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-3-[benzyl(methyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[benzyl(methyl)amino]benzamide
PubChem CID115544396
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-amino-3-[benzyl(methyl)amino]benzamide
SMILESCN(Cc1ccccc1)c1cccc(C(N)=O)c1N
InChIInChI=1S/C15H17N3O/c1-18(10-11-6-3-2-4-7-11)13-9-5-8-12(14(13)16)15(17)19/h2-9H,10,16H2,1H3,(H2,17,19)
InChIKeyLFWFGPUKDPRYJN-UHFFFAOYSA-N
XLogP2.00
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[methyl(thiophen-3-ylmethyl)amino]benzamide
CID 115544836
2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid
CID 60979283
2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 115546523
2-amino-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]benzamide
CID 115545191
methyl 2-amino-3-[methyl-[(4-methylphenyl)methyl]amino]benzoate
CID 115544640
1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
CID 112677258
2-[benzyl(methyl)amino]-N-ethylbenzamide
CID 67523896
2-amino-3-benzylsulfanylbenzamide
CID 113333393
2-[(3-aminophenyl)methyl-methylamino]-6-bromobenzamide
CID 114887491
methyl 2-amino-3-[benzyl(ethyl)amino]benzoate
CID 115544694
2-amino-3-(2-cyano-N-methylanilino)benzamide
CID 115546642

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[benzyl(methyl)amino]benzamide?
The IUPAC name of 2-amino-3-[benzyl(methyl)amino]benzamide (CID 115544396) is 2-amino-3-[benzyl(methyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[benzyl(methyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[benzyl(methyl)amino]benzamide is CN(Cc1ccccc1)c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-[benzyl(methyl)amino]benzamide?
The InChIKey is LFWFGPUKDPRYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(10-11-6-3-2-4-7-11)13-9-5-8-12(14(13)16)15(17)19/h2-9H,10,16H2,1H3,(H2,17,19).
What are the key properties of 2-amino-3-[benzyl(methyl)amino]benzamide?
2-amino-3-[benzyl(methyl)amino]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[benzyl(methyl)amino]benzamide is sourced from PubChem (CID 115544396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).