2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide

C13H14ClNO — CID 78970866

IUPAC2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c1-3-9-15(4-2)13(16)10-11-7-5-6-8-12(11)14/h1,5-8H,4,9-10H2,2H3
InChIKeyHWLWYKDUGHXIBU-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.36
Rot. Bonds4

About 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide

2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide (PubChem CID 78970866) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
PubChem CID78970866
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C13H14ClNO/c1-3-9-15(4-2)13(16)10-11-7-5-6-8-12(11)14/h1,5-8H,4,9-10H2,2H3
InChIKeyHWLWYKDUGHXIBU-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2-methylphenyl)-N-prop-2-ynylacetamide
CID 78970730
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
CID 54979575
2-[2-oxo-2-[propyl(prop-2-ynyl)amino]ethyl]benzoic acid
CID 113431534
2-[[2-(2-hydroxyphenyl)acetyl]-prop-2-ynylamino]acetic acid
CID 80741246
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
CID 78970690
2-(2-chlorophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 26266085
3-[[2-(2-chlorophenyl)acetyl]-ethylamino]butanoic acid
CID 55123907
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide (CID 78970866) is 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide is C#CCN(CC)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
The InChIKey is HWLWYKDUGHXIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-3-9-15(4-2)13(16)10-11-7-5-6-8-12(11)14/h1,5-8H,4,9-10H2,2H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide?
2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide has a molecular weight of 235.71 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78970866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).