2-(2,4-dinitroanilino)-N-ethylbenzamide

C15H14N4O5 — CID 4949475

IUPAC2-(2,4-dinitroanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O5/c1-2-16-15(20)11-5-3-4-6-12(11)17-13-8-7-10(18(21)22)9-14(13)19(23)24/h3-9,17H,2H2,1H3,(H,16,20)
InChIKeyDXPKMZANEZNPFS-UHFFFAOYSA-N
MW330.30 g/mol
LogP3.00
Rot. Bonds6

About 2-(2,4-dinitroanilino)-N-ethylbenzamide

2-(2,4-dinitroanilino)-N-ethylbenzamide (PubChem CID 4949475) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-(2,4-dinitroanilino)-N-ethylbenzamide.

Molecular Properties

Compound Name2-(2,4-dinitroanilino)-N-ethylbenzamide
PubChem CID4949475
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name2-(2,4-dinitroanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O5/c1-2-16-15(20)11-5-3-4-6-12(11)17-13-8-7-10(18(21)22)9-14(13)19(23)24/h3-9,17H,2H2,1H3,(H,16,20)
InChIKeyDXPKMZANEZNPFS-UHFFFAOYSA-N
XLogP3.00
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 53.00
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

N-[2-(ethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 4949361
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
2-(2,4-dinitroanilino)-N-ethylacetamide
CID 60653895
[2-(2,4-dinitroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 4939456
N-[2-(ethylcarbamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 35361781
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
N-(2-ethoxyethyl)-2-(3-nitroanilino)benzamide
CID 21444006
N-[4-(2,4-dinitroanilino)phenyl]-3-phenylpropanamide
CID 17233528
3-chloro-N-(2,4-dinitrophenyl)-2-methylaniline
CID 2838871
2-chloro-4-nitro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750879

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitroanilino)-N-ethylbenzamide?
The IUPAC name of 2-(2,4-dinitroanilino)-N-ethylbenzamide (CID 4949475) is 2-(2,4-dinitroanilino)-N-ethylbenzamide.
What is the SMILES notation for 2-(2,4-dinitroanilino)-N-ethylbenzamide?
The canonical SMILES for 2-(2,4-dinitroanilino)-N-ethylbenzamide is CCNC(=O)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dinitroanilino)-N-ethylbenzamide?
The InChIKey is DXPKMZANEZNPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-2-16-15(20)11-5-3-4-6-12(11)17-13-8-7-10(18(21)22)9-14(13)19(23)24/h3-9,17H,2H2,1H3,(H,16,20).
What are the key properties of 2-(2,4-dinitroanilino)-N-ethylbenzamide?
2-(2,4-dinitroanilino)-N-ethylbenzamide has a molecular weight of 330.30 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitroanilino)-N-ethylbenzamide is sourced from PubChem (CID 4949475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).