3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide

C18H19N3O4 — CID 8750889

IUPAC3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H19N3O4/c1-3-10-19-18(23)14-6-4-5-7-15(14)20-17(22)13-8-9-16(21(24)25)12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyFCBBOHMEFSZNMO-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.30
Rot. Bonds6

About 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide

3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide (PubChem CID 8750889) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
PubChem CID8750889
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C18H19N3O4/c1-3-10-19-18(23)14-6-4-5-7-15(14)20-17(22)13-8-9-16(21(24)25)12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyFCBBOHMEFSZNMO-UHFFFAOYSA-N
XLogP3.30
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.30
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-(tert-butylcarbamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 17256604
3-methyl-4-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 1251637
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 40820702
ethyl 4-[2-[(3-methyl-4-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311598
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
4-methyl-3-nitro-N-propylbenzamide
CID 2057629
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide (CID 8750889) is 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is FCBBOHMEFSZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-10-19-18(23)14-6-4-5-7-15(14)20-17(22)13-8-9-16(21(24)25)12(2)11-13/h4-9,11H,3,10H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide?
3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 8750889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).