2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide

C18H19N3O4 — CID 34567735

IUPAC2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NC(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-11(2)19-18(23)14-7-4-5-9-15(14)20-17(22)13-8-6-10-16(12(13)3)21(24)25/h4-11H,1-3H3,(H,19,23)(H,20,22)
InChIKeyUJFOCLJRWZFKAP-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.29
Rot. Bonds5

About 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide

2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 34567735) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
PubChem CID34567735
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NC(C)C)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O4/c1-11(2)19-18(23)14-7-4-5-9-15(14)20-17(22)13-8-6-10-16(12(13)3)21(24)25/h4-11H,1-3H3,(H,19,23)(H,20,22)
InChIKeyUJFOCLJRWZFKAP-UHFFFAOYSA-N
XLogP3.29
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.29
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-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]propanoate
CID 60638962
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
2-methyl-3-nitro-N-(propan-2-ylcarbamothioyl)benzamide
CID 18823108
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
N-(1-cyanoethyl)-2-methyl-3-nitrobenzamide
CID 61120058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide (CID 34567735) is 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide is Cc1c(C(=O)Nc2ccccc2C(=O)NC(C)C)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is UJFOCLJRWZFKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-11(2)19-18(23)14-7-4-5-9-15(14)20-17(22)13-8-6-10-16(12(13)3)21(24)25/h4-11H,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide?
2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 34567735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).