2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide

C13H16ClNO3 — CID 64996994

IUPAC2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
SMILESCCC(=O)C(C)NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-3-12(16)9(2)15-13(17)8-18-11-6-4-5-10(14)7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyHUZSOWRBNOGKFG-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.20
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide

2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide (PubChem CID 64996994) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
PubChem CID64996994
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
SMILESCCC(=O)C(C)NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-3-12(16)9(2)15-13(17)8-18-11-6-4-5-10(14)7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyHUZSOWRBNOGKFG-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802
N-(1-chloro-3-methylbutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 113273495
(2S,3R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964349
2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 99133008
(2R)-2-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80750925
2-(3-chlorophenoxy)-N-propylacetamide
CID 47001598
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(3-chlorophenoxy)acetamide
CID 76937630
(2S)-2-[[2-(3-chlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822042
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-chlorophenoxy)acetamide
CID 76947849

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide (CID 64996994) is 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide is CCC(=O)C(C)NC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide?
The InChIKey is HUZSOWRBNOGKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-3-12(16)9(2)15-13(17)8-18-11-6-4-5-10(14)7-11/h4-7,9H,3,8H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide?
2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide has a molecular weight of 269.73 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide is sourced from PubChem (CID 64996994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).