2-ethyl-4-nitrobenzamide

C9H10N2O3 — CID 22004501

IUPAC2-ethyl-4-nitrobenzamide
SMILESCCc1cc([N+](=O)[O-])ccc1C(N)=O
InChIInChI=1S/C9H10N2O3/c1-2-6-5-7(11(13)14)3-4-8(6)9(10)12/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyTWXGXMHQAVZPCA-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.26
Rot. Bonds3

About 2-ethyl-4-nitrobenzamide

2-ethyl-4-nitrobenzamide (PubChem CID 22004501) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-ethyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-ethyl-4-nitrobenzamide
PubChem CID22004501
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-ethyl-4-nitrobenzamide
SMILESCCc1cc([N+](=O)[O-])ccc1C(N)=O
InChIInChI=1S/C9H10N2O3/c1-2-6-5-7(11(13)14)3-4-8(6)9(10)12/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyTWXGXMHQAVZPCA-UHFFFAOYSA-N
XLogP1.26
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylbutyl)-4-nitrobenzamide
CID 151607264
2-aminooxy-5-nitrobenzamide
CID 79421918
1-[2-(chloromethyl)-4-nitrophenyl]propan-1-one
CID 131520811
sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride
CID 173084688
4-nitro-2-propylbenzoyl bromide
CID 22920954
2-(carboxymethyl)-4-nitrobenzoic acid
CID 7172025
2-ethyl-5-nitrophenol
CID 18980077
1-(2-amino-5-nitrophenyl)propan-2-one
CID 130926126
methyl 2-ethyl-5-nitrobenzoate
CID 54220219
2-ethyl-4-nitrobenzonitrile
CID 67236310
ethyl 4-nitro-2-(3-oxopropyl)benzoate
CID 134644320
1-(2,4-dinitrophenyl)propan-1-one
CID 606980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-nitrobenzamide?
The IUPAC name of 2-ethyl-4-nitrobenzamide (CID 22004501) is 2-ethyl-4-nitrobenzamide.
What is the SMILES notation for 2-ethyl-4-nitrobenzamide?
The canonical SMILES for 2-ethyl-4-nitrobenzamide is CCc1cc([N+](=O)[O-])ccc1C(N)=O.
What is the InChIKey of 2-ethyl-4-nitrobenzamide?
The InChIKey is TWXGXMHQAVZPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-6-5-7(11(13)14)3-4-8(6)9(10)12/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of 2-ethyl-4-nitrobenzamide?
2-ethyl-4-nitrobenzamide has a molecular weight of 194.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-nitrobenzamide is sourced from PubChem (CID 22004501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).