N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide

C16H11ClFNO2S — CID 50845819

IUPACN-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Cl)cc2)sc2cccc(F)c12
InChIInChI=1S/C16H11ClFNO2S/c1-21-14-13-11(18)3-2-4-12(13)22-15(14)16(20)19-10-7-5-9(17)6-8-10/h2-8H,1H3,(H,19,20)
InChIKeyQRTLQFSJHWATQO-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.95
Rot. Bonds3

About N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide

N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 50845819) has the molecular formula C16H11ClFNO2S and a molecular weight of 335.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
PubChem CID50845819
Molecular FormulaC16H11ClFNO2S
Molecular Weight335.79 g/mol
Exact Mass335.02
IUPAC NameN-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)Nc2ccc(Cl)cc2)sc2cccc(F)c12
InChIInChI=1S/C16H11ClFNO2S/c1-21-14-13-11(18)3-2-4-12(13)22-15(14)16(20)19-10-7-5-9(17)6-8-10/h2-8H,1H3,(H,19,20)
InChIKeyQRTLQFSJHWATQO-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845820
4-fluoro-3-methoxy-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 50845886
N-(3,4-difluorophenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667570
N-(3-acetamidophenyl)-3-chloro-4-fluoro-1-benzothiophene-2-carboxamide
CID 1245212
3-amino-4-fluoro-N-(4-iodophenyl)-1-benzothiophene-2-carboxamide
CID 79515302
N-(3,4-dimethoxyphenyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 27667583
3-chloro-4-fluoro-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987142
4-fluoro-3-(methoxymethyl)-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27666393
4-fluoro-3-methyl-N-[4-(3-methylphenoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 7603352
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide (CID 50845819) is N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide is COc1c(C(=O)Nc2ccc(Cl)cc2)sc2cccc(F)c12.
What is the InChIKey of N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is QRTLQFSJHWATQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2S/c1-21-14-13-11(18)3-2-4-12(13)22-15(14)16(20)19-10-7-5-9(17)6-8-10/h2-8H,1H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50845819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).