2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide

C27H23N3O3 — CID 17261173

IUPAC2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(N)c3)cc2)cc1
InChIInChI=1S/C27H23N3O3/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)29-27(32)24-7-2-3-8-25(24)30-26(31)19-5-4-6-20(28)17-19/h2-17H,28H2,1H3,(H,29,32)(H,30,31)
InChIKeyYAELZRUDIFWXGI-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.87
Rot. Bonds6

About 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide

2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide (PubChem CID 17261173) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide
PubChem CID17261173
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(N)c3)cc2)cc1
InChIInChI=1S/C27H23N3O3/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)29-27(32)24-7-2-3-8-25(24)30-26(31)19-5-4-6-20(28)17-19/h2-17H,28H2,1H3,(H,29,32)(H,30,31)
InChIKeyYAELZRUDIFWXGI-UHFFFAOYSA-N
XLogP5.87
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide?
The IUPAC name of 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide (CID 17261173) is 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide is Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(N)c3)cc2)cc1.
What is the InChIKey of 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide?
The InChIKey is YAELZRUDIFWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-18-9-13-22(14-10-18)33-23-15-11-21(12-16-23)29-27(32)24-7-2-3-8-25(24)30-26(31)19-5-4-6-20(28)17-19/h2-17H,28H2,1H3,(H,29,32)(H,30,31).
What are the key properties of 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide?
2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide has a molecular weight of 437.50 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 17261173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).