2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

C14H18ClNO2 — CID 110733181

IUPAC2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-16(10-12-6-4-8-18-12)14(17)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyBZRJAUNFJXCGHL-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide

2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110733181) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110733181
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(CC1CCCO1)C(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-16(10-12-6-4-8-18-12)14(17)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyBZRJAUNFJXCGHL-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
N-methyl-N-[[(2R)-oxan-2-yl]methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 124536730
2-(4-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430867
N,N-dimethyl-2-[2-[[methyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]acetamide
CID 95258985
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733141
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61436341
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide (CID 110733181) is 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is CN(CC1CCCO1)C(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BZRJAUNFJXCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-16(10-12-6-4-8-18-12)14(17)9-11-5-2-3-7-13(11)15/h2-3,5,7,12H,4,6,8-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide?
2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110733181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).