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

C17H15ClFN3O2S — CID 53140792

IUPAC2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFN3O2S/c1-8(2)16-21-22-17(24-16)14-7-13(9(3)25-14)20-15(23)11-5-4-10(19)6-12(11)18/h4-8H,1-3H3,(H,20,23)
InChIKeyIYKKAOHBDGFOSO-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.27
Rot. Bonds4

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

2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide (PubChem CID 53140792) has the molecular formula C17H15ClFN3O2S and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
PubChem CID53140792
Molecular FormulaC17H15ClFN3O2S
Molecular Weight379.84 g/mol
Exact Mass379.06
IUPAC Name2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H15ClFN3O2S/c1-8(2)16-21-22-17(24-16)14-7-13(9(3)25-14)20-15(23)11-5-4-10(19)6-12(11)18/h4-8H,1-3H3,(H,20,23)
InChIKeyIYKKAOHBDGFOSO-UHFFFAOYSA-N
XLogP5.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-fluoro-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide
CID 53163632
N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]cyclobutanecarboxamide
CID 53140766
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023
2,5-difluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
CID 53163528
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chloro-4-fluorobenzoate
CID 8937352
2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6469162
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
CID 43548096
4-amino-2-[(2-chloro-4-fluorobenzoyl)amino]benzoic acid
CID 63116238
N-(3-benzamido-2-methylphenyl)-2-chloro-4-fluorobenzamide
CID 55900045

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide (CID 53140792) is 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide is Cc1sc(-c2nnc(C(C)C)o2)cc1NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
The InChIKey is IYKKAOHBDGFOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2S/c1-8(2)16-21-22-17(24-16)14-7-13(9(3)25-14)20-15(23)11-5-4-10(19)6-12(11)18/h4-8H,1-3H3,(H,20,23).
What are the key properties of 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide?
2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide has a molecular weight of 379.84 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53140792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).