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

C19H15ClFNO3S — CID 19500907

IUPACN-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C19H15ClFNO3S/c1-24-14-3-2-4-15(9-14)25-10-12-7-18(26-11-12)19(23)22-13-5-6-17(21)16(20)8-13/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyIRNZVPXVDXPEEV-UHFFFAOYSA-N
MW391.85 g/mol
LogP5.38
Rot. Bonds6

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

N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19500907) has the molecular formula C19H15ClFNO3S and a molecular weight of 391.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19500907
Molecular FormulaC19H15ClFNO3S
Molecular Weight391.85 g/mol
Exact Mass391.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C19H15ClFNO3S/c1-24-14-3-2-4-15(9-14)25-10-12-7-18(26-11-12)19(23)22-13-5-6-17(21)16(20)8-13/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyIRNZVPXVDXPEEV-UHFFFAOYSA-N
XLogP5.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.85
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500923
N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500883
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19500907) is N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1cccc(OCc2csc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is IRNZVPXVDXPEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3S/c1-24-14-3-2-4-15(9-14)25-10-12-7-18(26-11-12)19(23)22-13-5-6-17(21)16(20)8-13/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 391.85 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19500907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).