3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide

C15H20ClNO2 — CID 61435695

IUPAC3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCN(CC1CCCCO1)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H20ClNO2/c1-17(11-14-7-2-3-8-19-14)15(18)13-6-4-5-12(9-13)10-16/h4-6,9,14H,2-3,7-8,10-11H2,1H3
InChIKeyLIBRQZPDLGWMAS-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.07
Rot. Bonds4

About 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide

3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide (PubChem CID 61435695) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
PubChem CID61435695
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
SMILESCN(CC1CCCCO1)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H20ClNO2/c1-17(11-14-7-2-3-8-19-14)15(18)13-6-4-5-12(9-13)10-16/h4-6,9,14H,2-3,7-8,10-11H2,1H3
InChIKeyLIBRQZPDLGWMAS-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
3-(cyclobutylsulfamoyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 72939295
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433728
N-methyl-3-(3-methylimidazol-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126444433
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide (CID 61435695) is 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide is CN(CC1CCCCO1)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide?
The InChIKey is LIBRQZPDLGWMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17(11-14-7-2-3-8-19-14)15(18)13-6-4-5-12(9-13)10-16/h4-6,9,14H,2-3,7-8,10-11H2,1H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide?
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide has a molecular weight of 281.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide is sourced from PubChem (CID 61435695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).