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

C13H15ClFNO2 — CID 42950494

IUPAC4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFNO2/c14-9-3-4-11(12(15)8-9)13(17)16-6-5-10-2-1-7-18-10/h3-4,8,10H,1-2,5-7H2,(H,16,17)
InChIKeyZLAXSVXRFNDVOK-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.78
Rot. Bonds4

About 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide

4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 42950494) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID42950494
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESO=C(NCCC1CCCO1)c1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFNO2/c14-9-3-4-11(12(15)8-9)13(17)16-6-5-10-2-1-7-18-10/h3-4,8,10H,1-2,5-7H2,(H,16,17)
InChIKeyZLAXSVXRFNDVOK-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

2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
4-chloro-3-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65372937
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760
2-amino-4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 28690163
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 42950494) is 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide is O=C(NCCC1CCCO1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is ZLAXSVXRFNDVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-9-3-4-11(12(15)8-9)13(17)16-6-5-10-2-1-7-18-10/h3-4,8,10H,1-2,5-7H2,(H,16,17).
What are the key properties of 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide?
4-chloro-2-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 4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 42950494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).