N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide

C16H12FNOS — CID 47008465

IUPACN-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2ccccc2s1
InChIInChI=1S/C16H12FNOS/c17-13-7-3-1-6-12(13)10-18-16(19)15-9-11-5-2-4-8-14(11)20-15/h1-9H,10H2,(H,18,19)
InChIKeyBWZVLOXJUYOKQM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.97
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide

N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 47008465) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID47008465
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC NameN-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc2ccccc2s1
InChIInChI=1S/C16H12FNOS/c17-13-7-3-1-6-12(13)10-18-16(19)15-9-11-5-2-4-8-14(11)20-15/h1-9H,10H2,(H,18,19)
InChIKeyBWZVLOXJUYOKQM-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799
6-fluoro-N-[(2-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115735462
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
5-acetyl-N-[(2-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18105799
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
N-(4-bromo-2,6-difluorophenyl)-1-benzothiophene-2-carboxamide
CID 65499900
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 113462659
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide (CID 47008465) is N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide is O=C(NCc1ccccc1F)c1cc2ccccc2s1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is BWZVLOXJUYOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c17-13-7-3-1-6-12(13)10-18-16(19)15-9-11-5-2-4-8-14(11)20-15/h1-9H,10H2,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 285.34 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 47008465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).