2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide

C16H22FNO2 — CID 110610202

IUPAC2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
SMILESCOCCCCNC(=O)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H22FNO2/c1-20-11-3-2-10-18-16(19)15(12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyKLQLAQLAZSYGTA-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.86
Rot. Bonds8

About 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide

2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide (PubChem CID 110610202) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
PubChem CID110610202
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
SMILESCOCCCCNC(=O)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H22FNO2/c1-20-11-3-2-10-18-16(19)15(12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19)
InChIKeyKLQLAQLAZSYGTA-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
CID 110355902
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 110419539
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629945
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
CID 110301065
2-cyclopropyl-2-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110428220
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110353862
[(1S)-1-(4-fluorophenyl)ethyl] N-(3-methoxypropyl)carbamate
CID 153458907
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide (CID 110610202) is 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide is COCCCCNC(=O)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide?
The InChIKey is KLQLAQLAZSYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-20-11-3-2-10-18-16(19)15(12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide?
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide is sourced from PubChem (CID 110610202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).