2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide

C13H15FN2O4 — CID 103097102

IUPAC2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
SMILESCOC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C13H15FN2O4/c1-20-10-4-2-8(6-10)15-13(17)11-7-9(16(18)19)3-5-12(11)14/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,17)
InChIKeyVEYGZPBJLKRFRE-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.03
Rot. Bonds4

About 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide

2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide (PubChem CID 103097102) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
PubChem CID103097102
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
SMILESCOC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1
InChIInChI=1S/C13H15FN2O4/c1-20-10-4-2-8(6-10)15-13(17)11-7-9(16(18)19)3-5-12(11)14/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,17)
InChIKeyVEYGZPBJLKRFRE-UHFFFAOYSA-N
XLogP2.03
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.03
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'}

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Related Compounds

2-fluoro-N-(3-methylcyclopentyl)-5-nitrobenzamide
CID 114545572
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
CID 103082421
2-iodo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 104578707
2-bromo-N-(3-methoxycyclobutyl)-5-nitrobenzamide
CID 113428937
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
CID 103082166
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 114117879

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide (CID 103097102) is 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide is COC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2F)C1.
What is the InChIKey of 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide?
The InChIKey is VEYGZPBJLKRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-20-10-4-2-8(6-10)15-13(17)11-7-9(16(18)19)3-5-12(11)14/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,17).
What are the key properties of 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide?
2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide has a molecular weight of 282.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide is sourced from PubChem (CID 103097102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).