2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide

C15H20ClNO2 — CID 89401573

IUPAC2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide
SMILESCc1ccc(C2(NC(=O)CCl)CCOCC2)c(C)c1
InChIInChI=1S/C15H20ClNO2/c1-11-3-4-13(12(2)9-11)15(17-14(18)10-16)5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyPRSIPXOHCUSEHF-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.66
Rot. Bonds3

About 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide

2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide (PubChem CID 89401573) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide
PubChem CID89401573
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide
SMILESCc1ccc(C2(NC(=O)CCl)CCOCC2)c(C)c1
InChIInChI=1S/C15H20ClNO2/c1-11-3-4-13(12(2)9-11)15(17-14(18)10-16)5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyPRSIPXOHCUSEHF-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide (CID 89401573) is 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide is Cc1ccc(C2(NC(=O)CCl)CCOCC2)c(C)c1.
What is the InChIKey of 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide?
The InChIKey is PRSIPXOHCUSEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-3-4-13(12(2)9-11)15(17-14(18)10-16)5-7-19-8-6-15/h3-4,9H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide?
2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide has a molecular weight of 281.78 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,4-dimethylphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 89401573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).