2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide

C16H22FNO — CID 110355902

IUPAC2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
SMILESCCCCCNC(=O)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H22FNO/c1-2-3-4-11-18-16(19)15(12-5-6-12)13-7-9-14(17)10-8-13/h7-10,12,15H,2-6,11H2,1H3,(H,18,19)
InChIKeyXEGJRBDXNBWLHT-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.63
Rot. Bonds7

About 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide

2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide (PubChem CID 110355902) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
PubChem CID110355902
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide
SMILESCCCCCNC(=O)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H22FNO/c1-2-3-4-11-18-16(19)15(12-5-6-12)13-7-9-14(17)10-8-13/h7-10,12,15H,2-6,11H2,1H3,(H,18,19)
InChIKeyXEGJRBDXNBWLHT-UHFFFAOYSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-methoxybutyl)acetamide
CID 110610202
N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
CID 110301065
2-cyclopropyl-N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 110419539
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]acetamide
CID 110629945
2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-N-pentylacetamide
CID 111109476
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
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
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide (CID 110355902) is 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide is CCCCCNC(=O)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide?
The InChIKey is XEGJRBDXNBWLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-3-4-11-18-16(19)15(12-5-6-12)13-7-9-14(17)10-8-13/h7-10,12,15H,2-6,11H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide?
2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide has a molecular weight of 263.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-pentylacetamide is sourced from PubChem (CID 110355902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).