2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide

C14H16ClNO — CID 103528530

IUPAC2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide
SMILESC#CC(CCC)NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO/c1-3-7-12(4-2)16-14(17)10-11-8-5-6-9-13(11)15/h2,5-6,8-9,12H,3,7,10H2,1H3,(H,16,17)
InChIKeyIHRSNWBPDSWICL-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide

2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide (PubChem CID 103528530) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide
PubChem CID103528530
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide
SMILESC#CC(CCC)NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H16ClNO/c1-3-7-12(4-2)16-14(17)10-11-8-5-6-9-13(11)15/h2,5-6,8-9,12H,3,7,10H2,1H3,(H,16,17)
InChIKeyIHRSNWBPDSWICL-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.80
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-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
CID 103528710
2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
CID 106223446
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
phenyl N-hex-1-yn-3-ylcarbamate
CID 103528912
N-(1-cyanobutyl)-2-(2-methylphenyl)acetamide
CID 61119098
N-(1-aminohexan-2-yl)-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119667896
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
CID 106230687
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide (CID 103528530) is 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide is C#CC(CCC)NC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide?
The InChIKey is IHRSNWBPDSWICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-7-12(4-2)16-14(17)10-11-8-5-6-9-13(11)15/h2,5-6,8-9,12H,3,7,10H2,1H3,(H,16,17).
What are the key properties of 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide?
2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide has a molecular weight of 249.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-hex-1-yn-3-ylacetamide is sourced from PubChem (CID 103528530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).