2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide

C13H15ClFNO2 — CID 110731260

IUPAC2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO2/c14-10-4-1-5-11(15)12(10)13(17)16-7-6-9-3-2-8-18-9/h1,4-5,9H,2-3,6-8H2,(H,16,17)
InChIKeyMRAKDMCDDMXUCL-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.78
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 110731260) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID110731260
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO2/c14-10-4-1-5-11(15)12(10)13(17)16-7-6-9-3-2-8-18-9/h1,4-5,9H,2-3,6-8H2,(H,16,17)
InChIKeyMRAKDMCDDMXUCL-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113010626
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
CID 114972950
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 110731260) is 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide is O=C(NCCC1CCCO1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is MRAKDMCDDMXUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-10-4-1-5-11(15)12(10)13(17)16-7-6-9-3-2-8-18-9/h1,4-5,9H,2-3,6-8H2,(H,16,17).
What are the key properties of 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 271.72 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 110731260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).