N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide

C14H16FNO — CID 90548082

IUPACN-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-2-3-6-14(17)16-11-4-5-12-7-9-13(15)10-8-12/h7-10H,2-3,6,11H2,1H3,(H,16,17)
InChIKeyWOUISFXVFOBCGT-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.48
Rot. Bonds4

About N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide

N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide (PubChem CID 90548082) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
PubChem CID90548082
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC NameN-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
SMILESCCCCC(=O)NCC#Cc1ccc(F)cc1
InChIInChI=1S/C14H16FNO/c1-2-3-6-14(17)16-11-4-5-12-7-9-13(15)10-8-12/h7-10H,2-3,6,11H2,1H3,(H,16,17)
InChIKeyWOUISFXVFOBCGT-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)prop-2-ynyl]-4-oxo-4-phenylbutanamide
CID 90548026
2-(2,5-dioxopyrrolidin-1-yl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
CID 90548247
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]pentanamide
CID 90550971
N-[4-(2,4-difluorophenoxy)but-2-ynyl]pentanamide
CID 90577630
4-[3-(4-chlorobutanoylamino)prop-1-ynyl]benzamide
CID 90549739
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pentanamide
CID 110888909
2-(3,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
CID 90548184
3-chloro-N-[3-(4-fluorophenyl)prop-2-ynyl]-2,2-dimethylpropanamide
CID 90548105
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
CID 90548192
1-fluoro-4-(4-hex-1-ynylphenyl)benzene
CID 19386407
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide?
The IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide (CID 90548082) is N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide is CCCCC(=O)NCC#Cc1ccc(F)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide?
The InChIKey is WOUISFXVFOBCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-2-3-6-14(17)16-11-4-5-12-7-9-13(15)10-8-12/h7-10H,2-3,6,11H2,1H3,(H,16,17).
What are the key properties of N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide?
N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide has a molecular weight of 233.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide is sourced from PubChem (CID 90548082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).