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

C21H17N3O4 — CID 28638777

IUPACN-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H17N3O4/c25-20(22-14-15-5-2-1-3-6-15)17-7-4-8-18(13-17)23-21(26)16-9-11-19(12-10-16)24(27)28/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyQVNRGWCLEGHYCT-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.78
Rot. Bonds6

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

N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide (PubChem CID 28638777) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
PubChem CID28638777
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-benzyl-3-[(4-nitrobenzoyl)amino]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C21H17N3O4/c25-20(22-14-15-5-2-1-3-6-15)17-7-4-8-18(13-17)23-21(26)16-9-11-19(12-10-16)24(27)28/h1-13H,14H2,(H,22,25)(H,23,26)
InChIKeyQVNRGWCLEGHYCT-UHFFFAOYSA-N
XLogP3.78
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-benzyl-3-nitro(11C)benzamide
CID 71606846
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
N-[3-(aminomethyl)phenyl]-4-nitrobenzamide
CID 63254682
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
N-benzyl-3,5-dinitrobenzamide
CID 4296325
N-benzyl-3,5-dinitro(11C)benzamide
CID 71606848
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-nitrobenzamide
CID 47063709
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide?
The IUPAC name of N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide (CID 28638777) is N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide?
The canonical SMILES for N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide is O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide?
The InChIKey is QVNRGWCLEGHYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c25-20(22-14-15-5-2-1-3-6-15)17-7-4-8-18(13-17)23-21(26)16-9-11-19(12-10-16)24(27)28/h1-13H,14H2,(H,22,25)(H,23,26).
What are the key properties of N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide?
N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide has a molecular weight of 375.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 28638777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).