3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide

C17H14ClNO — CID 23627864

IUPAC3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
SMILESO=C(C#Cc1cccc(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C17H14ClNO/c18-16-8-4-7-15(13-16)9-10-17(20)19-12-11-14-5-2-1-3-6-14/h1-8,13H,11-12H2,(H,19,20)
InChIKeyXSCIMHARDDAUJA-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.05
Rot. Bonds3

About 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide

3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide (PubChem CID 23627864) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
PubChem CID23627864
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide
SMILESO=C(C#Cc1cccc(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C17H14ClNO/c18-16-8-4-7-15(13-16)9-10-17(20)19-12-11-14-5-2-1-3-6-14/h1-8,13H,11-12H2,(H,19,20)
InChIKeyXSCIMHARDDAUJA-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.05
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-(4-fluorophenyl)ethyl]prop-2-ynamide
CID 68947547
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dichlorophenyl)prop-2-ynamide
CID 68945819
3-(3,4-dimethylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944668
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
3-(4-tert-butylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68944903
N-[3-(3-chlorophenyl)prop-2-ynyl]-4-phenylbutanamide
CID 90548466
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-(3-chlorophenyl)ethylurea
CID 127513466
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide (CID 23627864) is 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide is O=C(C#Cc1cccc(Cl)c1)NCCc1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide?
The InChIKey is XSCIMHARDDAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-16-8-4-7-15(13-16)9-10-17(20)19-12-11-14-5-2-1-3-6-14/h1-8,13H,11-12H2,(H,19,20).
What are the key properties of 3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide?
3-(3-chlorophenyl)-N-(2-phenylethyl)prop-2-ynamide has a molecular weight of 283.76 g/mol, XLogP of 3.05, 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-phenylethyl)prop-2-ynamide is sourced from PubChem (CID 23627864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).