5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide

C13H7ClFN3O3S — CID 167835509

IUPAC5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H7ClFN3O3S/c14-10-4-3-9(22-10)12(19)16-8-2-1-6(5-7(8)15)11-17-13(20)21-18-11/h1-5H,(H,16,19)(H,17,18,20)
InChIKeyAHVIGVQCPRPCLU-UHFFFAOYSA-N
MW339.74 g/mol
LogP3.14
Rot. Bonds3

About 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide

5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 167835509) has the molecular formula C13H7ClFN3O3S and a molecular weight of 339.74 g/mol. Its IUPAC name is 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID167835509
Molecular FormulaC13H7ClFN3O3S
Molecular Weight339.74 g/mol
Exact Mass338.99
IUPAC Name5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H7ClFN3O3S/c14-10-4-3-9(22-10)12(19)16-8-2-1-6(5-7(8)15)11-17-13(20)21-18-11/h1-5H,(H,16,19)(H,17,18,20)
InChIKeyAHVIGVQCPRPCLU-UHFFFAOYSA-N
XLogP3.14
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-amino-4-bromophenyl)-5-chlorothiophene-2-carboxamide
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N-[5-[(4-chloro-2-fluorophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
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methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-5-fluoro-4-methylbenzoate
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5-chloro-N-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625838
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
5-chloro-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 31527286
5-chloro-N-[4-[2-[2-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
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(Z)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide (CID 167835509) is 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1F)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is AHVIGVQCPRPCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O3S/c14-10-4-3-9(22-10)12(19)16-8-2-1-6(5-7(8)15)11-17-13(20)21-18-11/h1-5H,(H,16,19)(H,17,18,20).
What are the key properties of 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide?
5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 339.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-fluoro-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 167835509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).