3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide

C17H13ClFNO — CID 68947547

IUPAC3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
SMILESO=C(C#Cc1cccc(Cl)c1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO/c18-15-3-1-2-14(12-15)6-9-17(21)20-11-10-13-4-7-16(19)8-5-13/h1-5,7-8,12H,10-11H2,(H,20,21)
InChIKeyUZIYDSNJJOBJMV-UHFFFAOYSA-N
MW301.75 g/mol
LogP3.19
Rot. Bonds3

About 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide

3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide (PubChem CID 68947547) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
PubChem CID68947547
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide
SMILESO=C(C#Cc1cccc(Cl)c1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO/c18-15-3-1-2-14(12-15)6-9-17(21)20-11-10-13-4-7-16(19)8-5-13/h1-5,7-8,12H,10-11H2,(H,20,21)
InChIKeyUZIYDSNJJOBJMV-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 53.19
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-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 23627864
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide
CID 68945819
N-[2-(4-chlorophenyl)ethyl]-3-(3-cyanophenyl)prop-2-ynamide
CID 68943429
3-(3-chlorophenyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]prop-2-ynamide
CID 68945575
3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446
N'-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948432
1-chloro-3-[3-(4-fluorophenyl)prop-1-ynyl]benzene
CID 135037434
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944668
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
1-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137746

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide (CID 68947547) is 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide is O=C(C#Cc1cccc(Cl)c1)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide?
The InChIKey is UZIYDSNJJOBJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-15-3-1-2-14(12-15)6-9-17(21)20-11-10-13-4-7-16(19)8-5-13/h1-5,7-8,12H,10-11H2,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide?
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide has a molecular weight of 301.75 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-ynamide is sourced from PubChem (CID 68947547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).