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

C17H13ClFNO2S — CID 50845820

IUPACN-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NCc2ccccc2Cl)sc2cccc(F)c12
InChIInChI=1S/C17H13ClFNO2S/c1-22-15-14-12(19)7-4-8-13(14)23-16(15)17(21)20-9-10-5-2-3-6-11(10)18/h2-8H,9H2,1H3,(H,20,21)
InChIKeyPSFGONNGHLLVAI-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.63
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 50845820) has the molecular formula C17H13ClFNO2S and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
PubChem CID50845820
Molecular FormulaC17H13ClFNO2S
Molecular Weight349.81 g/mol
Exact Mass349.03
IUPAC NameN-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NCc2ccccc2Cl)sc2cccc(F)c12
InChIInChI=1S/C17H13ClFNO2S/c1-22-15-14-12(19)7-4-8-13(14)23-16(15)17(21)20-9-10-5-2-3-6-11(10)18/h2-8H,9H2,1H3,(H,20,21)
InChIKeyPSFGONNGHLLVAI-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-methoxy-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 50845886
N-(4-chlorophenyl)-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845819
4-fluoro-3-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603940
4-fluoro-3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 41261795
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
5-chloro-N-[(2-ethoxyphenyl)methyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 50845732
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55892387
4-fluoro-3-(methoxymethyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 24554643
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
N-benzyl-5-chloro-3-methoxy-1-benzothiophene-2-carboxamide
CID 50846024

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide (CID 50845820) is N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide is COc1c(C(=O)NCc2ccccc2Cl)sc2cccc(F)c12.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is PSFGONNGHLLVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2S/c1-22-15-14-12(19)7-4-8-13(14)23-16(15)17(21)20-9-10-5-2-3-6-11(10)18/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 349.81 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-fluoro-3-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50845820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).