N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

C18H12Cl2FNO2S — CID 19469372

IUPACN-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C18H12Cl2FNO2S/c19-12-6-13(20)8-15(7-12)22-18(23)17-5-11(10-25-17)9-24-16-3-1-14(21)2-4-16/h1-8,10H,9H2,(H,22,23)
InChIKeyXJISBJJNKSATNI-UHFFFAOYSA-N
MW396.27 g/mol
LogP6.03
Rot. Bonds5

About N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide

N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19469372) has the molecular formula C18H12Cl2FNO2S and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19469372
Molecular FormulaC18H12Cl2FNO2S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC NameN-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(COc2ccc(F)cc2)cs1
InChIInChI=1S/C18H12Cl2FNO2S/c19-12-6-13(20)8-15(7-12)22-18(23)17-5-11(10-25-17)9-24-16-3-1-14(21)2-4-16/h1-8,10H,9H2,(H,22,23)
InChIKeyXJISBJJNKSATNI-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
N-(2-benzoyl-4-chlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469408
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469412
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide (CID 19469372) is N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(COc2ccc(F)cc2)cs1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is XJISBJJNKSATNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FNO2S/c19-12-6-13(20)8-15(7-12)22-18(23)17-5-11(10-25-17)9-24-16-3-1-14(21)2-4-16/h1-8,10H,9H2,(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide?
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 396.27 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19469372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).