2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide

C13H14ClNO2 — CID 78970690

IUPAC2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2/c1-3-9-15(4-2)13(16)10-17-12-7-5-11(14)6-8-12/h1,5-8H,4,9-10H2,2H3
InChIKeyWCHDOFIIPWSWQX-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.20
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide

2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide (PubChem CID 78970690) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
PubChem CID78970690
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide
SMILESC#CCN(CC)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO2/c1-3-9-15(4-2)13(16)10-17-12-7-5-11(14)6-8-12/h1,5-8H,4,9-10H2,2H3
InChIKeyWCHDOFIIPWSWQX-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorobenzoyl)phenoxy]-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78883338
N,N-diethyl-2-[4-(1-hydroxybut-3-ynyl)phenoxy]acetamide
CID 82363007
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516089
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N,N-diethylacetamide
CID 7643378
2-ethoxy-N-ethyl-N-prop-2-ynylacetamide
CID 78970728
N-(azetidin-3-yl)-2-(4-chlorophenoxy)-N-ethylacetamide
CID 66182970
2-(3,5-dichlorophenoxy)-N,N-diethylacetamide
CID 84603845
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970866
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-prop-2-ynylamino]acetic acid
CID 79275280
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide (CID 78970690) is 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide is C#CCN(CC)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide?
The InChIKey is WCHDOFIIPWSWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-3-9-15(4-2)13(16)10-17-12-7-5-11(14)6-8-12/h1,5-8H,4,9-10H2,2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide?
2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide has a molecular weight of 251.71 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-ethyl-N-prop-2-ynylacetamide is sourced from PubChem (CID 78970690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).