N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide

C17H17N3O4 — CID 35361781

IUPACN-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H17N3O4/c1-3-18-16(21)13-7-4-5-9-14(13)19-17(22)12-8-6-10-15(11(12)2)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVMPQIODPEUKNKG-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide

N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide (PubChem CID 35361781) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
PubChem CID35361781
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C17H17N3O4/c1-3-18-16(21)13-7-4-5-9-14(13)19-17(22)12-8-6-10-15(11(12)2)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVMPQIODPEUKNKG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

2-methyl-3-nitro-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 34567735
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 4949361
ethyl 4-[2-[(2-methyl-3-nitrobenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311396
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide (CID 35361781) is N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide is CCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C.
What is the InChIKey of N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
The InChIKey is VMPQIODPEUKNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-18-16(21)13-7-4-5-9-14(13)19-17(22)12-8-6-10-15(11(12)2)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide?
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide has a molecular weight of 327.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 35361781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).