4-ethyl-3-nitrobenzamide

C9H10N2O3 — CID 57169483

IUPAC4-ethyl-3-nitrobenzamide
SMILESCCc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-2-6-3-4-7(9(10)12)5-8(6)11(13)14/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyYSYCLICHWSNOOI-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.26
Rot. Bonds3

About 4-ethyl-3-nitrobenzamide

4-ethyl-3-nitrobenzamide (PubChem CID 57169483) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-ethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethyl-3-nitrobenzamide
PubChem CID57169483
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name4-ethyl-3-nitrobenzamide
SMILESCCc1ccc(C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-2-6-3-4-7(9(10)12)5-8(6)11(13)14/h3-5H,2H2,1H3,(H2,10,12)
InChIKeyYSYCLICHWSNOOI-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

chlorobenzene;4-ethyl-3-nitrobenzamide
CID 174709581
2-(4-carbamoyl-2-nitrophenyl)acetic acid
CID 4067270
3-ethyl-4-nitrobenzamide
CID 67525718
ethyl 4-ethyl-3-nitrobenzoate
CID 43448997
3-[(4-carbamoyl-2-nitrophenyl)methyl-methylamino]propanoic acid
CID 60986908
(4-carbamoyl-2-nitrophenyl)methyl (2E,4E)-hexa-2,4-dienoate
CID 27314123
2-chloro-1-(4-ethyl-3-nitrophenyl)propan-1-one
CID 82044523
ethane;4-methyl-3-nitrobenzamide
CID 143806264
4-(1-hydroxypropan-2-ylsulfanylmethyl)-3-nitrobenzamide
CID 112695510
4-[[butyl(2-hydroxyethyl)amino]methyl]-3-nitrobenzamide
CID 60968329
(4-carbamoyl-2-nitrophenyl)boronic acid
CID 131396967
4-chloro-1-(4-ethyl-3-nitrophenyl)butan-1-one
CID 94271537

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-nitrobenzamide?
The IUPAC name of 4-ethyl-3-nitrobenzamide (CID 57169483) is 4-ethyl-3-nitrobenzamide.
What is the SMILES notation for 4-ethyl-3-nitrobenzamide?
The canonical SMILES for 4-ethyl-3-nitrobenzamide is CCc1ccc(C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethyl-3-nitrobenzamide?
The InChIKey is YSYCLICHWSNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-6-3-4-7(9(10)12)5-8(6)11(13)14/h3-5H,2H2,1H3,(H2,10,12).
What are the key properties of 4-ethyl-3-nitrobenzamide?
4-ethyl-3-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 4-ethyl-3-nitrobenzamide is sourced from PubChem (CID 57169483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).