2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide

C14H17FN2O3 — CID 4784963

IUPAC2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,18)
InChIKeyAENURYQEYZMMPL-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide

2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide (PubChem CID 4784963) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
PubChem CID4784963
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,18)
InChIKeyAENURYQEYZMMPL-UHFFFAOYSA-N
XLogP3.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
CID 2687981
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazol-2-ylsulfanyl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 170906465
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
2-(4-cyclohexylcyclohexyl)-N-(3,4-difluorophenyl)acetamide
CID 121325202
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 51163873
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide (CID 4784963) is 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide is O=C(CC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide?
The InChIKey is AENURYQEYZMMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-7-6-11(9-13(12)17(19)20)16-14(18)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,18).
What are the key properties of 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide?
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide has a molecular weight of 280.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide is sourced from PubChem (CID 4784963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).