2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide

C13H15ClFNO2 — CID 2963110

IUPAC2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCCO1
InChIInChI=1S/C13H15ClFNO2/c14-11-4-1-5-12(15)10(11)7-13(17)16-8-9-3-2-6-18-9/h1,4-5,9H,2-3,6-8H2,(H,16,17)
InChIKeySWZTZECCGICODW-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2963110) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2963110
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCCO1
InChIInChI=1S/C13H15ClFNO2/c14-11-4-1-5-12(15)10(11)7-13(17)16-8-9-3-2-6-18-9/h1,4-5,9H,2-3,6-8H2,(H,16,17)
InChIKeySWZTZECCGICODW-UHFFFAOYSA-N
XLogP2.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 2963110) is 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1c(F)cccc1Cl)NCC1CCCO1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SWZTZECCGICODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-11-4-1-5-12(15)10(11)7-13(17)16-8-9-3-2-6-18-9/h1,4-5,9H,2-3,6-8H2,(H,16,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 271.72 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2963110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).