N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide

C16H18N4O — CID 70407062

IUPACN-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide
SMILES[H]/N=C(\N)N(CNC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H18N4O/c1-12-7-9-14(10-8-12)20(16(17)18)11-19-15(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,17,18)(H,19,21)
InChIKeyDUIPYVDDRLLBST-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.08
Rot. Bonds4

About N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide

N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide (PubChem CID 70407062) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide
PubChem CID70407062
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide
SMILES[H]/N=C(\N)N(CNC(=O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H18N4O/c1-12-7-9-14(10-8-12)20(16(17)18)11-19-15(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,17,18)(H,19,21)
InChIKeyDUIPYVDDRLLBST-UHFFFAOYSA-N
XLogP2.08
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-carbamimidoyl-N-fluorobenzamide
CID 140974582
N-carbamimidoyl-N-ethylbenzamide
CID 138105289
N-(2-cyanoethyl)-N-(4-methylphenyl)benzamide
CID 2429232
1-carbamimidoyl-1-(4-methylphenyl)guanidine;hydrochloride
CID 3027696
N-[3-(N,4-dimethylanilino)-2-hydroxypropyl]benzamide
CID 23317221
N-carbamimidoyl-N-hydroxybenzamide
CID 142670447
N-[2-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]ethyl]benzamide
CID 42705527
1-benzoyl-1-(dimethylamino)guanidine
CID 67736617
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
1-benzyl-1-phenylguanidine
CID 9460
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42725862
N-[(4-methylphenyl)-(2,2,3,3-tetrafluoropropyl)carbamothioyl]benzamide
CID 21235075

Frequently Asked Questions

What is the IUPAC name of N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide?
The IUPAC name of N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide (CID 70407062) is N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide.
What is the SMILES notation for N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide?
The canonical SMILES for N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide is [H]/N=C(\N)N(CNC(=O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide?
The InChIKey is DUIPYVDDRLLBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-7-9-14(10-8-12)20(16(17)18)11-19-15(21)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,17,18)(H,19,21).
What are the key properties of N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide?
N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide has a molecular weight of 282.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(N-carbamimidoyl-4-methylanilino)methyl]benzamide is sourced from PubChem (CID 70407062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).