N-cyclopentyl-2-fluoro-4-nitrobenzamide

C12H13FN2O3 — CID 61037803

IUPACN-cyclopentyl-2-fluoro-4-nitrobenzamide
SMILESO=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H13FN2O3/c13-11-7-9(15(17)18)5-6-10(11)12(16)14-8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeyWKSQMOLVQNWPAD-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.41
Rot. Bonds3

About N-cyclopentyl-2-fluoro-4-nitrobenzamide

N-cyclopentyl-2-fluoro-4-nitrobenzamide (PubChem CID 61037803) has the molecular formula C12H13FN2O3 and a molecular weight of 252.24 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-4-nitrobenzamide
PubChem CID61037803
Molecular FormulaC12H13FN2O3
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC NameN-cyclopentyl-2-fluoro-4-nitrobenzamide
SMILESO=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H13FN2O3/c13-11-7-9(15(17)18)5-6-10(11)12(16)14-8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16)
InChIKeyWKSQMOLVQNWPAD-UHFFFAOYSA-N
XLogP2.41
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.41
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

2-(cyclopentylcarbamoyl)-4-nitrobenzoic acid
CID 110839554
2-chloro-N-cycloheptyl-4-nitrobenzamide
CID 732198
2-fluoro-4-nitro-N-(1-phenylpiperidin-4-yl)benzamide
CID 86830352
N-cyclopentyloxy-2-fluoro-4-nitrobenzamide
CID 83202341
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
N-cyclobutyl-2-iodo-5-nitrobenzamide
CID 62416139
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
2-fluoro-N-(3-methylcyclohexyl)-5-nitrobenzamide
CID 43377638
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-cyclododecyl-4-nitrobenzamide
CID 19168070
2-butoxy-N-cyclohexyl-5-nitrobenzamide
CID 139678176

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-4-nitrobenzamide?
The IUPAC name of N-cyclopentyl-2-fluoro-4-nitrobenzamide (CID 61037803) is N-cyclopentyl-2-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-4-nitrobenzamide is O=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N-cyclopentyl-2-fluoro-4-nitrobenzamide?
The InChIKey is WKSQMOLVQNWPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c13-11-7-9(15(17)18)5-6-10(11)12(16)14-8-3-1-2-4-8/h5-8H,1-4H2,(H,14,16).
What are the key properties of N-cyclopentyl-2-fluoro-4-nitrobenzamide?
N-cyclopentyl-2-fluoro-4-nitrobenzamide has a molecular weight of 252.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-4-nitrobenzamide is sourced from PubChem (CID 61037803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).