3-ethyl-4-nitrobenzamide

C9H10N2O3 — CID 67525718

IUPAC3-ethyl-4-nitrobenzamide
SMILESCCc1cc(C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-2-6-5-7(9(10)12)3-4-8(6)11(13)14/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyRHLFYLJMZXZEME-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.26
Rot. Bonds3

About 3-ethyl-4-nitrobenzamide

3-ethyl-4-nitrobenzamide (PubChem CID 67525718) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-ethyl-4-nitrobenzamide.

Molecular Properties

Compound Name3-ethyl-4-nitrobenzamide
PubChem CID67525718
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-ethyl-4-nitrobenzamide
SMILESCCc1cc(C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-2-6-5-7(9(10)12)3-4-8(6)11(13)14/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyRHLFYLJMZXZEME-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

4-ethyl-3-nitrobenzamide
CID 57169483
(3-ethyl-4-nitrobenzoyl) 3-ethyl-4-nitrobenzoate
CID 87266412
chlorobenzene;4-ethyl-3-nitrobenzamide
CID 174709581
2-(4-carbamoyl-2-nitrophenyl)acetic acid
CID 4067270
4-nitro-3-(pentan-3-ylamino)benzamide
CID 82995194
(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone
CID 67094575
3-fluoro-4-nitrobenzamide
CID 11423967
3-[(8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]-4-nitrobenzamide
CID 19820566
ethane;4-methyl-3-nitrobenzamide
CID 143806264
3-fluoro-4-nitrobenzamide;urea
CID 162262537
(4-carbamoyl-2-nitrophenyl)boronic acid
CID 131396967
(3-ethyl-4-nitrophenyl)methanamine
CID 168908904

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-nitrobenzamide?
The IUPAC name of 3-ethyl-4-nitrobenzamide (CID 67525718) is 3-ethyl-4-nitrobenzamide.
What is the SMILES notation for 3-ethyl-4-nitrobenzamide?
The canonical SMILES for 3-ethyl-4-nitrobenzamide is CCc1cc(C(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-4-nitrobenzamide?
The InChIKey is RHLFYLJMZXZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-6-5-7(9(10)12)3-4-8(6)11(13)14/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of 3-ethyl-4-nitrobenzamide?
3-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 3-ethyl-4-nitrobenzamide is sourced from PubChem (CID 67525718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).