2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide

C14H16ClNO — CID 4303275

IUPAC2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
SMILESC#CC(C)(CC)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-4-14(3,5-2)16-13(17)10-11-6-8-12(15)9-7-11/h1,6-9H,5,10H2,2-3H3,(H,16,17)
InChIKeyYHKJMJLZAYRJFX-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide

2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide (PubChem CID 4303275) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
PubChem CID4303275
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
SMILESC#CC(C)(CC)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-4-14(3,5-2)16-13(17)10-11-6-8-12(15)9-7-11/h1,6-9H,5,10H2,2-3H3,(H,16,17)
InChIKeyYHKJMJLZAYRJFX-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide (CID 4303275) is 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide is C#CC(C)(CC)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide?
The InChIKey is YHKJMJLZAYRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-4-14(3,5-2)16-13(17)10-11-6-8-12(15)9-7-11/h1,6-9H,5,10H2,2-3H3,(H,16,17).
What are the key properties of 2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide?
2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide has a molecular weight of 249.74 g/mol, XLogP of 2.80, 4 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-methylpent-1-yn-3-yl)acetamide is sourced from PubChem (CID 4303275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).