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

C19H18FNO — CID 68943273

IUPAC3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)N(C)CCc2ccccc2)ccc1F
InChIInChI=1S/C19H18FNO/c1-15-14-17(8-10-18(15)20)9-11-19(22)21(2)13-12-16-6-4-3-5-7-16/h3-8,10,14H,12-13H2,1-2H3
InChIKeyDVFMJFZYAZRTSG-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.19
Rot. Bonds3

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

3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide (PubChem CID 68943273) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
PubChem CID68943273
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)N(C)CCc2ccccc2)ccc1F
InChIInChI=1S/C19H18FNO/c1-15-14-17(8-10-18(15)20)9-11-19(22)21(2)13-12-16-6-4-3-5-7-16/h3-8,10,14H,12-13H2,1-2H3
InChIKeyDVFMJFZYAZRTSG-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.19
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

3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446
3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
CID 68942642
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide
CID 68947035
3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944668
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115182798
4-amino-3-fluoro-N-methyl-N-(2-phenylethyl)benzamide
CID 62680430
2-[benzyl(methyl)amino]-1-(4-fluoro-3-methylphenyl)ethanone
CID 71497148
2-amino-4-fluoro-5-[methyl(2-phenylethyl)amino]benzoic acid
CID 65488128
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide (CID 68943273) is 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide is Cc1cc(C#CC(=O)N(C)CCc2ccccc2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
The InChIKey is DVFMJFZYAZRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-15-14-17(8-10-18(15)20)9-11-19(22)21(2)13-12-16-6-4-3-5-7-16/h3-8,10,14H,12-13H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide?
3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide has a molecular weight of 295.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide is sourced from PubChem (CID 68943273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).