N-cyclopentyloxy-2-fluoro-4-nitrobenzamide

C12H13FN2O4 — CID 83202341

IUPACN-cyclopentyloxy-2-fluoro-4-nitrobenzamide
SMILESO=C(NOC1CCCC1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H13FN2O4/c13-11-7-8(15(17)18)5-6-10(11)12(16)14-19-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,16)
InChIKeyMITWOFICJXZKCT-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.34
Rot. Bonds4

About N-cyclopentyloxy-2-fluoro-4-nitrobenzamide

N-cyclopentyloxy-2-fluoro-4-nitrobenzamide (PubChem CID 83202341) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N-cyclopentyloxy-2-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-fluoro-4-nitrobenzamide
PubChem CID83202341
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN-cyclopentyloxy-2-fluoro-4-nitrobenzamide
SMILESO=C(NOC1CCCC1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H13FN2O4/c13-11-7-8(15(17)18)5-6-10(11)12(16)14-19-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,16)
InChIKeyMITWOFICJXZKCT-UHFFFAOYSA-N
XLogP2.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-2-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-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
N-(2-amino-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
CID 115301155
2-chloro-N-cyclopentyloxy-4,5-difluorobenzamide
CID 83203003
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
N-[(2-bromocyclopentyl)methyl]-2-fluoro-4-nitrobenzamide
CID 114313844
N-(2-bromo-2-cyclopropylethyl)-2-fluoro-4-nitrobenzamide
CID 113275950
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 54980290
N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
2-fluoro-4-nitrobenzoyl chloride
CID 10420435
N-(2-amino-4-ethoxycyclobutyl)-2-fluoro-4-nitrobenzamide
CID 66197224

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-fluoro-4-nitrobenzamide?
The IUPAC name of N-cyclopentyloxy-2-fluoro-4-nitrobenzamide (CID 83202341) is N-cyclopentyloxy-2-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyloxy-2-fluoro-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyloxy-2-fluoro-4-nitrobenzamide is O=C(NOC1CCCC1)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N-cyclopentyloxy-2-fluoro-4-nitrobenzamide?
The InChIKey is MITWOFICJXZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-11-7-8(15(17)18)5-6-10(11)12(16)14-19-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,16).
What are the key properties of N-cyclopentyloxy-2-fluoro-4-nitrobenzamide?
N-cyclopentyloxy-2-fluoro-4-nitrobenzamide has a molecular weight of 268.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-fluoro-4-nitrobenzamide is sourced from PubChem (CID 83202341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).