3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide

C14H17FN2O3 — CID 874154

IUPAC3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,16,18)
InChIKeyWJIUSBNCZGPBFT-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.64
Rot. Bonds5

About 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide

3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide (PubChem CID 874154) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
PubChem CID874154
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
SMILESO=C(CCC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,16,18)
InChIKeyWJIUSBNCZGPBFT-UHFFFAOYSA-N
XLogP3.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.64
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

4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
CID 2687981
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 170906465
N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 79758410
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-cyclohexylpropanamide
CID 4934261
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 82865757

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide (CID 874154) is 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide is O=C(CCC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide?
The InChIKey is WJIUSBNCZGPBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-5-10-3-1-2-4-10/h6-7,9-10H,1-5,8H2,(H,16,18).
What are the key properties of 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide?
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide has a molecular weight of 280.30 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide is sourced from PubChem (CID 874154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).