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

C14H18ClNO2 — CID 61435845

IUPAC3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H18ClNO2/c1-16(10-13-6-3-7-18-13)14(17)12-5-2-4-11(8-12)9-15/h2,4-5,8,13H,3,6-7,9-10H2,1H3
InChIKeyHZBSBVZLDUIYPQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.68
Rot. Bonds4

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

3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61435845) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61435845
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1cccc(CCl)c1
InChIInChI=1S/C14H18ClNO2/c1-16(10-13-6-3-7-18-13)14(17)12-5-2-4-11(8-12)9-15/h2,4-5,8,13H,3,6-7,9-10H2,1H3
InChIKeyHZBSBVZLDUIYPQ-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-(oxan-2-ylmethyl)benzamide
CID 61435695
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433728
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
3-(chloromethyl)-N-ethyl-N-methylbenzamide
CID 43263325
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
CID 96998228

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 61435845) is 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HZBSBVZLDUIYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-16(10-13-6-3-7-18-13)14(17)12-5-2-4-11(8-12)9-15/h2,4-5,8,13H,3,6-7,9-10H2,1H3.
What are the key properties of 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
3-(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 3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61435845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).