N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H14FNOS — CID 51311123

IUPACN-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H14FNOS/c17-13-7-3-1-6-12(13)10-18-16(19)15-9-11-5-2-4-8-14(11)20-15/h1-8,15H,9-10H2,(H,18,19)
InChIKeyMLUHRPYRLDTZKG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51311123) has the molecular formula C16H14FNOS and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51311123
Molecular FormulaC16H14FNOS
Molecular Weight287.36 g/mol
Exact Mass287.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1ccccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C16H14FNOS/c17-13-7-3-1-6-12(13)10-18-16(19)15-9-11-5-2-4-8-14(11)20-15/h1-8,15H,9-10H2,(H,18,19)
InChIKeyMLUHRPYRLDTZKG-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112725710
N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60565621
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18140584
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18134735
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-[(4-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55801902
N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60735809
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51311123) is N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCc1ccccc1F)C1Cc2ccccc2S1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is MLUHRPYRLDTZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNOS/c17-13-7-3-1-6-12(13)10-18-16(19)15-9-11-5-2-4-8-14(11)20-15/h1-8,15H,9-10H2,(H,18,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.16, 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]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51311123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).