4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide

C17H25FN2O — CID 155804015

IUPAC4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide
SMILESCN1CCCC1CCNC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-20-13-3-5-16(20)11-12-19-17(21)6-2-4-14-7-9-15(18)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyYICYTYUVWXVGGG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.75
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide

4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide (PubChem CID 155804015) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide
PubChem CID155804015
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide
SMILESCN1CCCC1CCNC(=O)CCCc1ccc(F)cc1
InChIInChI=1S/C17H25FN2O/c1-20-13-3-5-16(20)11-12-19-17(21)6-2-4-14-7-9-15(18)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,19,21)
InChIKeyYICYTYUVWXVGGG-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide (CID 155804015) is 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide is CN1CCCC1CCNC(=O)CCCc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide?
The InChIKey is YICYTYUVWXVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-20-13-3-5-16(20)11-12-19-17(21)6-2-4-14-7-9-15(18)10-8-14/h7-10,16H,2-6,11-13H2,1H3,(H,19,21).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide?
4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide has a molecular weight of 292.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]butanamide is sourced from PubChem (CID 155804015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).