4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide

C15H16N4O2 — CID 22949694

IUPAC4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
SMILESNc1ccc(C(=O)NCNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N4O2/c16-12-5-1-10(2-6-12)14(20)18-9-19-15(21)11-3-7-13(17)8-4-11/h1-8H,9,16-17H2,(H,18,20)(H,19,21)
InChIKeyILEPWZRUUGJNEK-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.97
Rot. Bonds4

About 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide

4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide (PubChem CID 22949694) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
PubChem CID22949694
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
SMILESNc1ccc(C(=O)NCNC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C15H16N4O2/c16-12-5-1-10(2-6-12)14(20)18-9-19-15(21)11-3-7-13(17)8-4-11/h1-8H,9,16-17H2,(H,18,20)(H,19,21)
InChIKeyILEPWZRUUGJNEK-UHFFFAOYSA-N
XLogP0.97
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-[[(4-aminobenzoyl)amino]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

4-amino-N-(2-oxoethyl)benzamide
CID 54395026
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-amino-N-(2-methylbutyl)benzamide
CID 22242294
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
4-amino-N-[2-[2-(carbamoylamino)ethylamino]-2-oxoethyl]benzamide
CID 83111327

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide?
The IUPAC name of 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide (CID 22949694) is 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide is Nc1ccc(C(=O)NCNC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide?
The InChIKey is ILEPWZRUUGJNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-12-5-1-10(2-6-12)14(20)18-9-19-15(21)11-3-7-13(17)8-4-11/h1-8H,9,16-17H2,(H,18,20)(H,19,21).
What are the key properties of 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide?
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide has a molecular weight of 284.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 22949694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).