N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide

C24H20FNO — CID 68947035

IUPACN-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C24H20FNO/c1-18-16-19(12-14-23(18)25)13-15-24(27)26-17-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,14,16,22H,17H2,1H3,(H,26,27)
InChIKeyKCHPWYUKJAXCPB-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.43
Rot. Bonds4

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

N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide (PubChem CID 68947035) has the molecular formula C24H20FNO and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide
PubChem CID68947035
Molecular FormulaC24H20FNO
Molecular Weight357.43 g/mol
Exact Mass357.15
IUPAC NameN-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide
SMILESCc1cc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C24H20FNO/c1-18-16-19(12-14-23(18)25)13-15-24(27)26-17-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,14,16,22H,17H2,1H3,(H,26,27)
InChIKeyKCHPWYUKJAXCPB-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.43
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-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446
N-(2,2-diphenylethyl)-3-(2-methylphenyl)prop-2-ynamide
CID 68944805
N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide
CID 68945753
N-(2,2-diphenylethyl)-3-(1H-indol-5-yl)prop-2-ynamide
CID 68944263
3-(4-fluoro-3-methylphenyl)-N-(2-thiophen-2-ylethyl)prop-2-ynamide
CID 68940319
3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944668
3-(4-fluoro-3-methylphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
CID 68943273
N-(2-hydroxypropyl)-3-phenylprop-2-ynamide
CID 43501186
N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylprop-2-ynamide
CID 97072671
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
4-(4-fluoro-3-methylphenyl)but-3-yn-2-ol
CID 130055776
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide (CID 68947035) is N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide is Cc1cc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)ccc1F.
What is the InChIKey of N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide?
The InChIKey is KCHPWYUKJAXCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO/c1-18-16-19(12-14-23(18)25)13-15-24(27)26-17-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-12,14,16,22H,17H2,1H3,(H,26,27).
What are the key properties of N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide?
N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide has a molecular weight of 357.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-(4-fluoro-3-methylphenyl)prop-2-ynamide is sourced from PubChem (CID 68947035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).