4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide

C16H21FN2O3 — CID 2687981

IUPAC4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
SMILESO=C(CCCC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H21FN2O3/c17-14-10-9-13(11-15(14)19(21)22)18-16(20)8-4-7-12-5-2-1-3-6-12/h9-12H,1-8H2,(H,18,20)
InChIKeyHMZAYGWVBAWMHP-UHFFFAOYSA-N
MW308.35 g/mol
LogP4.42
Rot. Bonds6

About 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide

4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide (PubChem CID 2687981) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
PubChem CID2687981
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
SMILESO=C(CCCC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H21FN2O3/c17-14-10-9-13(11-15(14)19(21)22)18-16(20)8-4-7-12-5-2-1-3-6-12/h9-12H,1-8H2,(H,18,20)
InChIKeyHMZAYGWVBAWMHP-UHFFFAOYSA-N
XLogP4.42
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 54.42
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
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)-5-hydroxypentanamide
CID 79198639
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
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-(4-fluoro-3-nitroanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9404952
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
N-(4-fluoro-3-nitrophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9077002
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide?
The IUPAC name of 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide (CID 2687981) is 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide.
What is the SMILES notation for 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide?
The canonical SMILES for 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide is O=C(CCCC1CCCCC1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide?
The InChIKey is HMZAYGWVBAWMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-14-10-9-13(11-15(14)19(21)22)18-16(20)8-4-7-12-5-2-1-3-6-12/h9-12H,1-8H2,(H,18,20).
What are the key properties of 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide?
4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide has a molecular weight of 308.35 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide is sourced from PubChem (CID 2687981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).