4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide

C18H13ClFNO2S — CID 19503349

IUPAC4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H13ClFNO2S/c19-13-4-6-16(7-5-13)23-10-12-8-17(24-11-12)18(22)21-15-3-1-2-14(20)9-15/h1-9,11H,10H2,(H,21,22)
InChIKeyFYKVQFIUMLHRSK-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.37
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide

4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide (PubChem CID 19503349) has the molecular formula C18H13ClFNO2S and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
PubChem CID19503349
Molecular FormulaC18H13ClFNO2S
Molecular Weight361.83 g/mol
Exact Mass361.03
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H13ClFNO2S/c19-13-4-6-16(7-5-13)23-10-12-8-17(24-11-12)18(22)21-15-3-1-2-14(20)9-15/h1-9,11H,10H2,(H,21,22)
InChIKeyFYKVQFIUMLHRSK-UHFFFAOYSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide (CID 19503349) is 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide is O=C(Nc1cccc(F)c1)c1cc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is FYKVQFIUMLHRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2S/c19-13-4-6-16(7-5-13)23-10-12-8-17(24-11-12)18(22)21-15-3-1-2-14(20)9-15/h1-9,11H,10H2,(H,21,22).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-(3-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19503349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).