2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide

C14H16ClNO — CID 115647113

IUPAC2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide
SMILESC#CCC(CC)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO/c1-3-6-13(4-2)16-14(17)10-11-7-5-8-12(15)9-11/h1,5,7-9,13H,4,6,10H2,2H3,(H,16,17)
InChIKeyLCFHKWQHTVVTPN-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.80
Rot. Bonds5

About 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide

2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide (PubChem CID 115647113) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide
PubChem CID115647113
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide
SMILESC#CCC(CC)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClNO/c1-3-6-13(4-2)16-14(17)10-11-7-5-8-12(15)9-11/h1,5,7-9,13H,4,6,10H2,2H3,(H,16,17)
InChIKeyLCFHKWQHTVVTPN-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

methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
CID 99783550
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
5-chloro-N-hex-5-yn-3-yl-2-methylbenzamide
CID 115761078
1-(3-chlorophenyl)-N-methylpent-4-yn-2-amine
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CID 94460369
2-(3-aminophenyl)-N-(1-cyanobutan-2-yl)acetamide
CID 65349834
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide (CID 115647113) is 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide is C#CCC(CC)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide?
The InChIKey is LCFHKWQHTVVTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-6-13(4-2)16-14(17)10-11-7-5-8-12(15)9-11/h1,5,7-9,13H,4,6,10H2,2H3,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide?
2-(3-chlorophenyl)-N-hex-5-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-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide is sourced from PubChem (CID 115647113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).