2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide

C16H19N3O — CID 64682133

IUPAC2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C16H19N3O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-8-7-13(17)9-15(14)18/h3-9H,2,10,17-18H2,1H3,(H,19,20)
InChIKeyVLHMLHNYLULNEJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.34
Rot. Bonds4

About 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide

2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide (PubChem CID 64682133) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
PubChem CID64682133
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(N)cc1N
InChIInChI=1S/C16H19N3O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-8-7-13(17)9-15(14)18/h3-9H,2,10,17-18H2,1H3,(H,19,20)
InChIKeyVLHMLHNYLULNEJ-UHFFFAOYSA-N
XLogP2.34
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.34
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

4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
5-amino-2-bromo-N-[(2-ethylphenyl)methyl]benzamide
CID 64682347
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
2,4-diamino-N-hexylbenzamide
CID 61111728
2,4-diamino-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65241205
N-[(2-aminophenyl)methyl]-2-chloro-4-methylbenzamide
CID 106860403
5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide?
The IUPAC name of 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide (CID 64682133) is 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide is CCc1ccccc1CNC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide?
The InChIKey is VLHMLHNYLULNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-11-5-3-4-6-12(11)10-19-16(20)14-8-7-13(17)9-15(14)18/h3-9H,2,10,17-18H2,1H3,(H,19,20).
What are the key properties of 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide?
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide is sourced from PubChem (CID 64682133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).