3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide

C18H16FNO — CID 68941446

IUPAC3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C18H16FNO/c1-14-13-16(7-9-17(14)19)8-10-18(21)20-12-11-15-5-3-2-4-6-15/h2-7,9,13H,11-12H2,1H3,(H,20,21)
InChIKeyCICIFACBYJFZDN-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.84
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide

3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide (PubChem CID 68941446) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
PubChem CID68941446
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)NCCc2ccccc2)ccc1F
InChIInChI=1S/C18H16FNO/c1-14-13-16(7-9-17(14)19)8-10-18(21)20-12-11-15-5-3-2-4-6-15/h2-7,9,13H,11-12H2,1H3,(H,20,21)
InChIKeyCICIFACBYJFZDN-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.84
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

3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944668
3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide
CID 68940319
N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide
CID 68947035
3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 23627864
3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
CID 68943273
3-(4-tert-butylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944903
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
CID 68947547
3-(2-methylphenyl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
CID 68945842
N-[2-(4-chlorophenyl)ethyl]-3-(3-cyanophenyl)prop-2-ynamide
CID 68943429
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide
CID 68945819
3-(1H-indol-5-yl)-N-[2-(4-methylphenyl)ethyl]prop-2-ynamide
CID 68942700

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide (CID 68941446) is 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide is Cc1cc(C#CC(=O)NCCc2ccccc2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
The InChIKey is CICIFACBYJFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-14-13-16(7-9-17(14)19)8-10-18(21)20-12-11-15-5-3-2-4-6-15/h2-7,9,13H,11-12H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide?
3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide has a molecular weight of 281.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide is sourced from PubChem (CID 68941446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).