2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide

C15H19ClFNO2 — CID 91905262

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-18(10-11-5-7-20-8-6-11)15(19)9-12-13(16)3-2-4-14(12)17/h2-4,11H,5-10H2,1H3
InChIKeyLKHGXQGSCXSLRE-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.91
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide (PubChem CID 91905262) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
PubChem CID91905262
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
SMILESCN(CC1CCOCC1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-18(10-11-5-7-20-8-6-11)15(19)9-12-13(16)3-2-4-14(12)17/h2-4,11H,5-10H2,1H3
InChIKeyLKHGXQGSCXSLRE-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide (CID 91905262) is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide is CN(CC1CCOCC1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is LKHGXQGSCXSLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-18(10-11-5-7-20-8-6-11)15(19)9-12-13(16)3-2-4-14(12)17/h2-4,11H,5-10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 299.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 91905262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).