N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide

C13H15FN2O3 — CID 113248304

IUPACN-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
SMILESCCC1(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)CCC1
InChIInChI=1S/C13H15FN2O3/c1-2-13(6-3-7-13)15-12(17)9-4-5-11(16(18)19)10(14)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyHBMVRUJJOHHMFR-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.80
Rot. Bonds4

About N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide

N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide (PubChem CID 113248304) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
PubChem CID113248304
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
SMILESCCC1(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)CCC1
InChIInChI=1S/C13H15FN2O3/c1-2-13(6-3-7-13)15-12(17)9-4-5-11(16(18)19)10(14)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,17)
InChIKeyHBMVRUJJOHHMFR-UHFFFAOYSA-N
XLogP2.80
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.80
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'}

Analyze N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylcyclobutyl)-2,6-difluoro-3-nitrobenzamide
CID 107122310
4-(ethylamino)-N-(1-ethylcyclobutyl)-3-nitrobenzamide
CID 115673070
N-(3-ethylpentan-3-yl)-3-fluoro-4-nitrobenzamide
CID 65038833
N-(1-ethylcyclobutyl)-2,5-difluoro-3-nitrobenzamide
CID 107122311
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955
N-[1-(hydroxymethyl)cyclobutyl]-4-methylsulfanyl-3-nitrobenzamide
CID 115877899
ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 62680737
N-(2,3-dihydroxy-2-methylpropyl)-3-fluoro-4-nitrobenzamide
CID 66168183
3-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-nitrobenzamide
CID 62681284
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide?
The IUPAC name of N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide (CID 113248304) is N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide?
The canonical SMILES for N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide is CCC1(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide?
The InChIKey is HBMVRUJJOHHMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-13(6-3-7-13)15-12(17)9-4-5-11(16(18)19)10(14)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,15,17).
What are the key properties of N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide?
N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide has a molecular weight of 266.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide is sourced from PubChem (CID 113248304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).