N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide

C27H22N2O2 — CID 28638755

IUPACN-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H22N2O2/c30-26(28-19-20-8-3-1-4-9-20)24-12-7-13-25(18-24)29-27(31)23-16-14-22(15-17-23)21-10-5-2-6-11-21/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeySQVTVYDTMXLKIQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.54
Rot. Bonds6

About N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide

N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide (PubChem CID 28638755) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
PubChem CID28638755
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC NameN-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C27H22N2O2/c30-26(28-19-20-8-3-1-4-9-20)24-12-7-13-25(18-24)29-27(31)23-16-14-22(15-17-23)21-10-5-2-6-11-21/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeySQVTVYDTMXLKIQ-UHFFFAOYSA-N
XLogP5.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
CID 28638777
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
CID 28638781
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide?
The IUPAC name of N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide (CID 28638755) is N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide?
The canonical SMILES for N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide is O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide?
The InChIKey is SQVTVYDTMXLKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O2/c30-26(28-19-20-8-3-1-4-9-20)24-12-7-13-25(18-24)29-27(31)23-16-14-22(15-17-23)21-10-5-2-6-11-21/h1-18H,19H2,(H,28,30)(H,29,31).
What are the key properties of N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide?
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide has a molecular weight of 406.49 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide is sourced from PubChem (CID 28638755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).