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

C15H20ClNO2 — CID 114170463

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C15H20ClNO2/c1-12-4-2-3-5-13(12)10-14(18)17-15(11-16)6-8-19-9-7-15/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyLMVYBLIRMFXBQK-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.44
Rot. Bonds4

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

N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide (PubChem CID 114170463) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide
PubChem CID114170463
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C15H20ClNO2/c1-12-4-2-3-5-13(12)10-14(18)17-15(11-16)6-8-19-9-7-15/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyLMVYBLIRMFXBQK-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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-(bromomethyl)oxan-4-yl]-3-(2-methylphenyl)propanamide
CID 106300831
N-[4-(chloromethyl)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 114170454
N-[4-(chloromethyl)oxan-4-yl]-2,3-dimethylbenzamide
CID 114170466
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-oxoethyl]benzoic acid
CID 106296960
N-[4-(chloromethyl)oxan-4-yl]-3-(3-methylphenyl)propanamide
CID 106300497
2-chloro-N-[1-[(2-methylphenyl)methyl]cyclopentyl]acetamide
CID 82133784
N-[4-(chloromethyl)oxan-4-yl]-2-methylsulfanylacetamide
CID 106300644
N-[4-(chloromethyl)oxan-4-yl]-3-methylbutanamide
CID 106300477
N-[4-(bromomethyl)oxan-4-yl]-2-phenylacetamide
CID 106300936
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide (CID 114170463) is N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is LMVYBLIRMFXBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-12-4-2-3-5-13(12)10-14(18)17-15(11-16)6-8-19-9-7-15/h2-5H,6-11H2,1H3,(H,17,18).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide?
N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 281.78 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 114170463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).