N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide

C16H14N4O6 — CID 4949361

IUPACN-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O6/c1-2-17-16(22)13-5-3-4-6-14(13)18-15(21)10-7-11(19(23)24)9-12(8-10)20(25)26/h3-9H,2H2,1H3,(H,17,22)(H,18,21)
InChIKeyJUNMCTHCDUNLCE-UHFFFAOYSA-N
MW358.31 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide

N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide (PubChem CID 4949361) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
PubChem CID4949361
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC NameN-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
SMILESCCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O6/c1-2-17-16(22)13-5-3-4-6-14(13)18-15(21)10-7-11(19(23)24)9-12(8-10)20(25)26/h3-9H,2H2,1H3,(H,17,22)(H,18,21)
InChIKeyJUNMCTHCDUNLCE-UHFFFAOYSA-N
XLogP2.51
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]-5-nitrobenzoyl]amino]benzoate
CID 3383146
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
3,5-dinitro-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 4935085
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
2-(2,4-dinitroanilino)-N-ethylbenzamide
CID 4949475
N-ethyl-2-[(4-phenylbenzoyl)amino]benzamide
CID 4949283
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 2873591
2-[(3-nitrobenzoyl)amino]-N-propan-2-ylbenzamide
CID 4945339
2-[[2-(ethylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 4949321
2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750879
3-methyl-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750889

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
The IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide (CID 4949361) is N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide.
What is the SMILES notation for N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
The canonical SMILES for N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide is CCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
The InChIKey is JUNMCTHCDUNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c1-2-17-16(22)13-5-3-4-6-14(13)18-15(21)10-7-11(19(23)24)9-12(8-10)20(25)26/h3-9H,2H2,1H3,(H,17,22)(H,18,21).
What are the key properties of N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide?
N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide has a molecular weight of 358.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide is sourced from PubChem (CID 4949361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).