N-(4-fluorophenyl)-N-methylpent-4-ynamide

C12H12FNO — CID 86086919

IUPACN-(4-fluorophenyl)-N-methylpent-4-ynamide
SMILESC#CCCC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-3-4-5-12(15)14(2)11-8-6-10(13)7-9-11/h1,6-9H,4-5H2,2H3
InChIKeyPVZNRJVGMHORHO-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.20
Rot. Bonds3

About N-(4-fluorophenyl)-N-methylpent-4-ynamide

N-(4-fluorophenyl)-N-methylpent-4-ynamide (PubChem CID 86086919) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methylpent-4-ynamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methylpent-4-ynamide
PubChem CID86086919
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC NameN-(4-fluorophenyl)-N-methylpent-4-ynamide
SMILESC#CCCC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C12H12FNO/c1-3-4-5-12(15)14(2)11-8-6-10(13)7-9-11/h1,6-9H,4-5H2,2H3
InChIKeyPVZNRJVGMHORHO-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-phenylpent-4-ynamide
CID 90714881
7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626292
N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
CID 87027884
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626265
1-(4-fluorophenyl)hex-5-yn-2-one
CID 63656703
4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate
CID 162689282
3-cyano-N-(3-fluorophenyl)-N-methylpropanamide
CID 115173707
N-(4-fluorophenyl)pent-4-ynamide
CID 72544109
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611
3-amino-N-(4-fluorophenyl)-3-hydroxyimino-N-methylpropanamide
CID 76930705

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methylpent-4-ynamide?
The IUPAC name of N-(4-fluorophenyl)-N-methylpent-4-ynamide (CID 86086919) is N-(4-fluorophenyl)-N-methylpent-4-ynamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methylpent-4-ynamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methylpent-4-ynamide is C#CCCC(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methylpent-4-ynamide?
The InChIKey is PVZNRJVGMHORHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-3-4-5-12(15)14(2)11-8-6-10(13)7-9-11/h1,6-9H,4-5H2,2H3.
What are the key properties of N-(4-fluorophenyl)-N-methylpent-4-ynamide?
N-(4-fluorophenyl)-N-methylpent-4-ynamide has a molecular weight of 205.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methylpent-4-ynamide is sourced from PubChem (CID 86086919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).