2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide

C15H20ClNO2 — CID 154856535

IUPAC2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
SMILESCc1ccccc1C1(CNC(=O)CCl)CCOCC1
InChIInChI=1S/C15H20ClNO2/c1-12-4-2-3-5-13(12)15(6-8-19-9-7-15)11-17-14(18)10-16/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyUCGUMERXCSNEPG-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.40
Rot. Bonds4

About 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide

2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide (PubChem CID 154856535) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
PubChem CID154856535
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
SMILESCc1ccccc1C1(CNC(=O)CCl)CCOCC1
InChIInChI=1S/C15H20ClNO2/c1-12-4-2-3-5-13(12)15(6-8-19-9-7-15)11-17-14(18)10-16/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyUCGUMERXCSNEPG-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
CID 86833759
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71869916
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804
2-methyl-1-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-propylguanidine;hydroiodide
CID 111228344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide (CID 154856535) is 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide is Cc1ccccc1C1(CNC(=O)CCl)CCOCC1.
What is the InChIKey of 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
The InChIKey is UCGUMERXCSNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-12-4-2-3-5-13(12)15(6-8-19-9-7-15)11-17-14(18)10-16/h2-5H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide?
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide has a molecular weight of 281.78 g/mol, XLogP of 2.40, 4 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-methylphenyl)oxan-4-yl]methyl]acetamide is sourced from PubChem (CID 154856535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).