2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide

C13H12ClFN2O2 — CID 90537631

IUPAC2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
SMILESCc1cc(CCNC(=O)c2c(F)cccc2Cl)on1
InChIInChI=1S/C13H12ClFN2O2/c1-8-7-9(19-17-8)5-6-16-13(18)12-10(14)3-2-4-11(12)15/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyHXOSCWUFDFUHMW-UHFFFAOYSA-N
MW282.70 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide

2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide (PubChem CID 90537631) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
PubChem CID90537631
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
SMILESCc1cc(CCNC(=O)c2c(F)cccc2Cl)on1
InChIInChI=1S/C13H12ClFN2O2/c1-8-7-9(19-17-8)5-6-16-13(18)12-10(14)3-2-4-11(12)15/h2-4,7H,5-6H2,1H3,(H,16,18)
InChIKeyHXOSCWUFDFUHMW-UHFFFAOYSA-N
XLogP2.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzamide
CID 47861608
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2,3-dimethoxy-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537616
2,6-dichloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 71865203
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-ethyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 90537585
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-(2-chlorophenyl)-N-[3-fluoro-4-[2-(3-methyl-1,2-oxazol-5-yl)ethylcarbamoyl]phenyl]-6,8-dimethylquinoline-4-carboxamide
CID 177319759
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide (CID 90537631) is 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide is Cc1cc(CCNC(=O)c2c(F)cccc2Cl)on1.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
The InChIKey is HXOSCWUFDFUHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-8-7-9(19-17-8)5-6-16-13(18)12-10(14)3-2-4-11(12)15/h2-4,7H,5-6H2,1H3,(H,16,18).
What are the key properties of 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide has a molecular weight of 282.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 90537631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).