2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide

C17H14ClNO — CID 51325787

IUPAC2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC#Cc1ccccc1
InChIInChI=1S/C17H14ClNO/c18-16-10-8-15(9-11-16)13-17(20)19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,12-13H2,(H,19,20)
InChIKeyIQBQWQWZAGSTBJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide

2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 51325787) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID51325787
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC#Cc1ccccc1
InChIInChI=1S/C17H14ClNO/c18-16-10-8-15(9-11-16)13-17(20)19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,12-13H2,(H,19,20)
InChIKeyIQBQWQWZAGSTBJ-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

N-(3-phenylprop-2-ynyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51332685
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
CID 51332454
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
1-chloro-4-(3-phenylprop-2-ynyl)benzene
CID 71393321
N-[3-(2-fluorophenyl)prop-2-ynyl]-2-(4-phenylphenyl)acetamide
CID 90547954
2-(2-nitrophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 24615540
4-[(4-chlorophenyl)sulfamoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 24615549
N-[3-(3-chlorophenyl)prop-2-ynyl]-4-phenylbutanamide
CID 90548466
2-naphthalen-1-yl-N-[2-oxo-2-(3-phenylprop-2-ynylamino)ethyl]acetamide
CID 51332688
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
CID 55510199
2-amino-N-[3-(3-chlorophenyl)prop-2-ynyl]acetamide
CID 114777655

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide (CID 51325787) is 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide is O=C(Cc1ccc(Cl)cc1)NCC#Cc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is IQBQWQWZAGSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-16-10-8-15(9-11-16)13-17(20)19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,12-13H2,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide?
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide 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 2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 51325787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).