2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

C15H17ClFN3O2 — CID 126428187

IUPAC2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)N[C@H](C)c2nnc(C(C)C)o2)c1Cl
InChIInChI=1S/C15H17ClFN3O2/c1-7(2)14-19-20-15(22-14)9(4)18-13(21)11-10(17)6-5-8(3)12(11)16/h5-7,9H,1-4H3,(H,18,21)/t9-/m1/s1
InChIKeyYJSYNOFTZLTYKY-SECBINFHSA-N
MW325.77 g/mol
LogP3.78
Rot. Bonds4

About 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide

2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 126428187) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID126428187
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCc1ccc(F)c(C(=O)N[C@H](C)c2nnc(C(C)C)o2)c1Cl
InChIInChI=1S/C15H17ClFN3O2/c1-7(2)14-19-20-15(22-14)9(4)18-13(21)11-10(17)6-5-8(3)12(11)16/h5-7,9H,1-4H3,(H,18,21)/t9-/m1/s1
InChIKeyYJSYNOFTZLTYKY-SECBINFHSA-N
XLogP3.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[3-oxo-3-[[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
CID 126445835
4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
CID 126445834
2-chloro-6-fluoro-3-methylbenzoic acid
CID 2773668
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
2-chloro-6-fluoro-3-methyl-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 162630302
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-2-chloro-6-fluoro-3-methylbenzamide
CID 131934064
2-methyl-4-oxo-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 118762824
5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949119
2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
CID 125438904
2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
CID 82815283

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 126428187) is 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is Cc1ccc(F)c(C(=O)N[C@H](C)c2nnc(C(C)C)o2)c1Cl.
What is the InChIKey of 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is YJSYNOFTZLTYKY-SECBINFHSA-N. The full InChI is InChI=1S/C15H17ClFN3O2/c1-7(2)14-19-20-15(22-14)9(4)18-13(21)11-10(17)6-5-8(3)12(11)16/h5-7,9H,1-4H3,(H,18,21)/t9-/m1/s1.
What are the key properties of 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 325.77 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-methyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 126428187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).