N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide

C14H17FN2O3 — CID 62680746

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

About N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide

N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide (PubChem CID 62680746) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
PubChem CID62680746
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC NameN-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])c(F)c1)C1CCCC1
InChIInChI=1S/C14H17FN2O3/c1-2-16(11-5-3-4-6-11)14(18)10-7-8-13(17(19)20)12(15)9-10/h7-9,11H,2-6H2,1H3
InChIKeyATXNDVCQSUUMPY-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-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
CID 102861502
N-cyclopentyl-N-ethyl-2,6-difluoro-3-nitrobenzamide
CID 107121802
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-cyclohexyl-N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 18204669
N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 102861526
N-(cyclopropylmethyl)-3-fluoro-4-nitro-N-propylbenzamide
CID 62680227
N-ethyl-3-fluoro-N-(2-methylpropyl)-4-nitrobenzamide
CID 62680393
2-amino-N-cyclopropyl-N-ethyl-6-fluoro-3-nitrobenzamide
CID 107122923
N-ethyl-3-fluoro-N-(2-methylbutyl)-4-nitrobenzamide
CID 79482385
N-(1-cyclopropylethyl)-3-fluoro-N-methyl-4-nitrobenzamide
CID 62680223

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide (CID 62680746) is N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide is CCN(C(=O)c1ccc([N+](=O)[O-])c(F)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide?
The InChIKey is ATXNDVCQSUUMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-16(11-5-3-4-6-11)14(18)10-7-8-13(17(19)20)12(15)9-10/h7-9,11H,2-6H2,1H3.
What are the key properties of N-cyclopentyl-N-ethyl-3-fluoro-4-nitrobenzamide?
N-cyclopentyl-N-ethyl-3-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-3-fluoro-4-nitrobenzamide is sourced from PubChem (CID 62680746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).