2-(2-chlorophenyl)-N-pent-3-ynylacetamide

C13H14ClNO — CID 115977322

IUPAC2-(2-chlorophenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c1-2-3-6-9-15-13(16)10-11-7-4-5-8-12(11)14/h4-5,7-8H,6,9-10H2,1H3,(H,15,16)
InChIKeyHVJAONRUUFJCME-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.41
Rot. Bonds4

About 2-(2-chlorophenyl)-N-pent-3-ynylacetamide

2-(2-chlorophenyl)-N-pent-3-ynylacetamide (PubChem CID 115977322) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-pent-3-ynylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-pent-3-ynylacetamide
PubChem CID115977322
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-(2-chlorophenyl)-N-pent-3-ynylacetamide
SMILESCC#CCCNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c1-2-3-6-9-15-13(16)10-11-7-4-5-8-12(11)14/h4-5,7-8H,6,9-10H2,1H3,(H,15,16)
InChIKeyHVJAONRUUFJCME-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 115977176
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945
N-[2-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932586
2-(2-chlorophenyl)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 113258913
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-pent-3-ynylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-pent-3-ynylacetamide (CID 115977322) is 2-(2-chlorophenyl)-N-pent-3-ynylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-pent-3-ynylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-pent-3-ynylacetamide is CC#CCCNC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-pent-3-ynylacetamide?
The InChIKey is HVJAONRUUFJCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-2-3-6-9-15-13(16)10-11-7-4-5-8-12(11)14/h4-5,7-8H,6,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)-N-pent-3-ynylacetamide?
2-(2-chlorophenyl)-N-pent-3-ynylacetamide has a molecular weight of 235.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-pent-3-ynylacetamide is sourced from PubChem (CID 115977322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).