N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide

C16H12FNOS — CID 17173127

IUPACN-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C16H12FNOS/c17-12-7-5-11(6-8-12)9-18-16(19)14-10-20-15-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,18,19)
InChIKeyRMXZALINRLNHST-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.97
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide (PubChem CID 17173127) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
PubChem CID17173127
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC NameN-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csc2ccccc12
InChIInChI=1S/C16H12FNOS/c17-12-7-5-11(6-8-12)9-18-16(19)14-10-20-15-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,18,19)
InChIKeyRMXZALINRLNHST-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-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
N-[(3-amino-2-methylphenyl)methyl]-1-benzothiophene-3-carboxamide
CID 103109994
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
N-(6-chlorohexyl)-1-benzothiophene-3-carboxamide
CID 114008448
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-benzothiophene-3-carboxamide
CID 32692271
N-[(4-fluorophenyl)methyl]-5-iodothiophene-3-carboxamide
CID 78948423
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide (CID 17173127) is N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide is O=C(NCc1ccc(F)cc1)c1csc2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
The InChIKey is RMXZALINRLNHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c17-12-7-5-11(6-8-12)9-18-16(19)14-10-20-15-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-benzothiophene-3-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-[(4-fluorophenyl)methyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 17173127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).