4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C14H18ClNO2 — CID 61435799

IUPAC4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H18ClNO2/c1-16(10-13-3-2-8-18-13)14(17)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10H2,1H3
InChIKeyJPQKTYQTWPUYEH-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds4

About 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide

4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61435799) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61435799
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(CCl)cc1
InChIInChI=1S/C14H18ClNO2/c1-16(10-13-3-2-8-18-13)14(17)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10H2,1H3
InChIKeyJPQKTYQTWPUYEH-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.68
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-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
CID 96998228
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 61435799) is 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is JPQKTYQTWPUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-16(10-13-3-2-8-18-13)14(17)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 267.76 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61435799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).