4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide

C20H18N4O2 — CID 762890

IUPAC4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C20H18N4O2/c21-15-8-4-13(5-9-15)19(25)23-17-2-1-3-18(12-17)24-20(26)14-6-10-16(22)11-7-14/h1-12H,21-22H2,(H,23,25)(H,24,26)
InChIKeyOEIUYPYXOYZUAX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.36
Rot. Bonds4

About 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide

4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide (PubChem CID 762890) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
PubChem CID762890
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C20H18N4O2/c21-15-8-4-13(5-9-15)19(25)23-17-2-1-3-18(12-17)24-20(26)14-6-10-16(22)11-7-14/h1-12H,21-22H2,(H,23,25)(H,24,26)
InChIKeyOEIUYPYXOYZUAX-UHFFFAOYSA-N
XLogP3.36
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide (CID 762890) is 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
The InChIKey is OEIUYPYXOYZUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-15-8-4-13(5-9-15)19(25)23-17-2-1-3-18(12-17)24-20(26)14-6-10-16(22)11-7-14/h1-12H,21-22H2,(H,23,25)(H,24,26).
What are the key properties of 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 762890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).