2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide

C22H18N4O5 — CID 3393738

IUPAC2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C22H18N4O5/c1-14-6-2-3-7-17(14)21(28)23-16-12-10-15(11-13-16)20(27)24-25-22(29)18-8-4-5-9-19(18)26(30)31/h2-13H,1H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyQBHHXWREZJMZGF-UHFFFAOYSA-N
MW418.41 g/mol
LogP3.23
Rot. Bonds5

About 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide

2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 3393738) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID3393738
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC Name2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C22H18N4O5/c1-14-6-2-3-7-17(14)21(28)23-16-12-10-15(11-13-16)20(27)24-25-22(29)18-8-4-5-9-19(18)26(30)31/h2-13H,1H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyQBHHXWREZJMZGF-UHFFFAOYSA-N
XLogP3.23
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
N-[[[4-[(4-tert-butylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-nitrobenzamide
CID 3484789
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
4-(methylamino)-N'-(2-methylbenzoyl)-3-nitrobenzohydrazide
CID 9150351
2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062307
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 997658
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
3-methyl-N'-(2-methylbenzoyl)-2-nitrobenzohydrazide
CID 46520515
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide (CID 3393738) is 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is QBHHXWREZJMZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c1-14-6-2-3-7-17(14)21(28)23-16-12-10-15(11-13-16)20(27)24-25-22(29)18-8-4-5-9-19(18)26(30)31/h2-13H,1H3,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide?
2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 418.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3393738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).