2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide

C17H17N3O4 — CID 4945339

IUPAC2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O4/c1-11(2)18-17(22)14-8-3-4-9-15(14)19-16(21)12-6-5-7-13(10-12)20(23)24/h3-11H,1-2H3,(H,18,22)(H,19,21)
InChIKeyMSHOAGLTEBSBCD-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.99
Rot. Bonds5

About 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide

2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 4945339) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
PubChem CID4945339
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O4/c1-11(2)18-17(22)14-8-3-4-9-15(14)19-16(21)12-6-5-7-13(10-12)20(23)24/h3-11H,1-2H3,(H,18,22)(H,19,21)
InChIKeyMSHOAGLTEBSBCD-UHFFFAOYSA-N
XLogP2.99
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.99
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

3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
2-[(3-iodobenzoyl)amino]-N-propan-2-ylbenzamide
CID 34567999
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
methyl 3-[[2-(propan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17175300
3,5-dinitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935085
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide (CID 4945339) is 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is MSHOAGLTEBSBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(2)18-17(22)14-8-3-4-9-15(14)19-16(21)12-6-5-7-13(10-12)20(23)24/h3-11H,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide?
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 327.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4945339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).