2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

C12H9ClF3N3O2 — CID 2781090

IUPAC2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCc1cc(-c2nnc(C(F)(F)F)o2)ccc1NC(=O)CCl
InChIInChI=1S/C12H9ClF3N3O2/c1-6-4-7(2-3-8(6)17-9(20)5-13)10-18-19-11(21-10)12(14,15)16/h2-4H,5H2,1H3,(H,17,20)
InChIKeyOQSNGDYVLGRPEN-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.24
Rot. Bonds3

About 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide

2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (PubChem CID 2781090) has the molecular formula C12H9ClF3N3O2 and a molecular weight of 319.67 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
PubChem CID2781090
Molecular FormulaC12H9ClF3N3O2
Molecular Weight319.67 g/mol
Exact Mass319.03
IUPAC Name2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
SMILESCc1cc(-c2nnc(C(F)(F)F)o2)ccc1NC(=O)CCl
InChIInChI=1S/C12H9ClF3N3O2/c1-6-4-7(2-3-8(6)17-9(20)5-13)10-18-19-11(21-10)12(14,15)16/h2-4H,5H2,1H3,(H,17,20)
InChIKeyOQSNGDYVLGRPEN-UHFFFAOYSA-N
XLogP3.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-3-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]thiourea
CID 2727780
2-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 130427978
2-chloro-N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 91683703
4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 139473568
2,2,2-trifluoroethyl N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]carbamate
CID 65173469
tert-butyl N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate
CID 126507716
2-bromo-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63681213
N-(5-chloro-2-fluorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7403177
3,6-dimethyl-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 103431046
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
CID 57195475
methyl 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-methylbenzoate
CID 162060004
2-(3,4-dimethylphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide (CID 2781090) is 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is Cc1cc(-c2nnc(C(F)(F)F)o2)ccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
The InChIKey is OQSNGDYVLGRPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O2/c1-6-4-7(2-3-8(6)17-9(20)5-13)10-18-19-11(21-10)12(14,15)16/h2-4H,5H2,1H3,(H,17,20).
What are the key properties of 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide?
2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide has a molecular weight of 319.67 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 2781090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).