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

C18H12ClF2NO2S — CID 19503294

IUPAC4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H12ClF2NO2S/c19-12-1-4-14(5-2-12)24-9-11-7-17(25-10-11)18(23)22-13-3-6-15(20)16(21)8-13/h1-8,10H,9H2,(H,22,23)
InChIKeyGDHVQULYSBOIAQ-UHFFFAOYSA-N
MW379.82 g/mol
LogP5.51
Rot. Bonds5

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

4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide (PubChem CID 19503294) has the molecular formula C18H12ClF2NO2S and a molecular weight of 379.82 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide
PubChem CID19503294
Molecular FormulaC18H12ClF2NO2S
Molecular Weight379.82 g/mol
Exact Mass379.02
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(COc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H12ClF2NO2S/c19-12-1-4-14(5-2-12)24-9-11-7-17(25-10-11)18(23)22-13-3-6-15(20)16(21)8-13/h1-8,10H,9H2,(H,22,23)
InChIKeyGDHVQULYSBOIAQ-UHFFFAOYSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.82
LogP ≤ 55.51
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-(3,4-difluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide (CID 19503294) is 4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(COc2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide?
The InChIKey is GDHVQULYSBOIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2NO2S/c19-12-1-4-14(5-2-12)24-9-11-7-17(25-10-11)18(23)22-13-3-6-15(20)16(21)8-13/h1-8,10H,9H2,(H,22,23).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)thiophene-2-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 5.51, 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-(3,4-difluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19503294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).