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

C20H18N4O2 — CID 121331562

IUPAC3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N)c3)c2)cc1
InChIInChI=1S/C20H18N4O2/c21-15-9-7-13(8-10-15)19(25)23-17-5-2-6-18(12-17)24-20(26)14-3-1-4-16(22)11-14/h1-12H,21-22H2,(H,23,25)(H,24,26)
InChIKeyKBHNVYRQJWWPOO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.36
Rot. Bonds4

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

3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide (PubChem CID 121331562) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
PubChem CID121331562
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N)c3)c2)cc1
InChIInChI=1S/C20H18N4O2/c21-15-9-7-13(8-10-15)19(25)23-17-5-2-6-18(12-17)24-20(26)14-3-1-4-16(22)11-14/h1-12H,21-22H2,(H,23,25)(H,24,26)
InChIKeyKBHNVYRQJWWPOO-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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Related Compounds

methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753
4-amino-N-[3-[(3-aminobenzoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 135301189
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
N-(3-aminophenyl)-4-formylbenzamide
CID 57292924
4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 59457943
3-amino-N-[3-(cyclohexanecarbonylamino)phenyl]benzamide;hydrochloride
CID 119814644
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
5-[(3-aminobenzoyl)amino]-2-chlorobenzamide
CID 43707245
(3-aminophenyl)boronic acid;(3-benzamidophenyl)boronic acid
CID 158171259
1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide
CID 71483953
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide (CID 121331562) is 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide is Nc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(N)c3)c2)cc1.
What is the InChIKey of 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
The InChIKey is KBHNVYRQJWWPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-15-9-7-13(8-10-15)19(25)23-17-5-2-6-18(12-17)24-20(26)14-3-1-4-16(22)11-14/h1-12H,21-22H2,(H,23,25)(H,24,26).
What are the key properties of 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide?
3-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 3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 121331562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).