2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide

C13H12ClFN2O2 — CID 118894429

IUPAC2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cccc(F)c2Cl)no1
InChIInChI=1S/C13H12ClFN2O2/c1-7(2)10-6-11(17-19-10)16-13(18)8-4-3-5-9(15)12(8)14/h3-7H,1-2H3,(H,16,17,18)
InChIKeyIELWOAMAIIVRID-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide

2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide (PubChem CID 118894429) has the molecular formula C13H12ClFN2O2 and a molecular weight of 282.70 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide
PubChem CID118894429
Molecular FormulaC13H12ClFN2O2
Molecular Weight282.70 g/mol
Exact Mass282.06
IUPAC Name2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2cccc(F)c2Cl)no1
InChIInChI=1S/C13H12ClFN2O2/c1-7(2)10-6-11(17-19-10)16-13(18)8-4-3-5-9(15)12(8)14/h3-7H,1-2H3,(H,16,17,18)
InChIKeyIELWOAMAIIVRID-UHFFFAOYSA-N
XLogP3.84
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 81362000
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxybutanoic acid
CID 81453778
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
3-fluoro-2-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62649569
2-chloro-3-fluoro-N-(5-methoxy-3-pyridinyl)benzamide
CID 167914388
2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide
CID 167048219
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
2-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859993
N-(3-amino-4-chlorophenyl)-2-chloro-3-fluorobenzamide
CID 81454097
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide (CID 118894429) is 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2cccc(F)c2Cl)no1.
What is the InChIKey of 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide?
The InChIKey is IELWOAMAIIVRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2/c1-7(2)10-6-11(17-19-10)16-13(18)8-4-3-5-9(15)12(8)14/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide?
2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide has a molecular weight of 282.70 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N-(5-propan-2-yl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 118894429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).