N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide

C14H17FN2O3 — CID 87024573

IUPACN-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1
InChIInChI=1S/C14H17FN2O3/c1-2-16(10-5-3-4-6-10)14(18)12-8-7-11(17(19)20)9-13(12)15/h7-10H,2-6H2,1H3
InChIKeyAJKIDZYEIDRAGD-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.14
Rot. Bonds4

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

N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide (PubChem CID 87024573) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
PubChem CID87024573
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1
InChIInChI=1S/C14H17FN2O3/c1-2-16(10-5-3-4-6-10)14(18)12-8-7-11(17(19)20)9-13(12)15/h7-10H,2-6H2,1H3
InChIKeyAJKIDZYEIDRAGD-UHFFFAOYSA-N
XLogP3.14
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
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

N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
CID 102866417
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 87024565
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
N-(azepan-4-yl)-2-fluoro-N-methyl-4-nitrobenzamide
CID 104974655
N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
CID 62680746
N-(2-bromoethyl)-N-ethyl-2-fluoro-4-nitrobenzamide
CID 80660162
2-chloro-N-cyclohexyl-N-ethyl-3,5-dinitrobenzamide
CID 4633265
N-(2-bromoethyl)-N-cyclopentyl-2-methyl-4-nitrobenzamide
CID 80656420
N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 107121802
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide (CID 87024573) is N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide is CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide?
The InChIKey is AJKIDZYEIDRAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-16(10-5-3-4-6-10)14(18)12-8-7-11(17(19)20)9-13(12)15/h7-10H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide?
N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide has a molecular weight of 280.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide is sourced from PubChem (CID 87024573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).