2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide

C13H16ClNO3 — CID 166430534

IUPAC2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1OC1CCOCC1
InChIInChI=1S/C13H16ClNO3/c14-9-13(16)15-11-3-1-2-4-12(11)18-10-5-7-17-8-6-10/h1-4,10H,5-9H2,(H,15,16)
InChIKeyKKYKDRFLDVUEIS-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide

2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide (PubChem CID 166430534) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide
PubChem CID166430534
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide
SMILESO=C(CCl)Nc1ccccc1OC1CCOCC1
InChIInChI=1S/C13H16ClNO3/c14-9-13(16)15-11-3-1-2-4-12(11)18-10-5-7-17-8-6-10/h1-4,10H,5-9H2,(H,15,16)
InChIKeyKKYKDRFLDVUEIS-UHFFFAOYSA-N
XLogP2.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119808751
2-(4-bromophenyl)-N-(2-cyclopentyloxyphenyl)acetamide
CID 55807841
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
(2S,5R)-5-(aminomethyl)-N-[2-(oxolan-3-yloxy)phenyl]oxolane-2-carboxamide
CID 120795372
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride
CID 120501820
1-(3-bromo-2-methylphenyl)-3-[2-[(3R)-oxolan-3-yl]oxyphenyl]urea
CID 96542046
N-(2-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78891418
N-(2-carbamothioylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287172
N-cycloheptyl-2-[2-(oxan-4-ylamino)phenoxy]acetamide
CID 136556780
2-[2-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 63745167
3-methyl-3-[2-(oxan-4-yloxy)phenyl]butanoic acid
CID 117446292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide (CID 166430534) is 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide is O=C(CCl)Nc1ccccc1OC1CCOCC1.
What is the InChIKey of 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide?
The InChIKey is KKYKDRFLDVUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c14-9-13(16)15-11-3-1-2-4-12(11)18-10-5-7-17-8-6-10/h1-4,10H,5-9H2,(H,15,16).
What are the key properties of 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide?
2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide has a molecular weight of 269.73 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(oxan-4-yloxy)phenyl]acetamide is sourced from PubChem (CID 166430534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).