N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide

C20H16FNOS — CID 2899761

IUPACN-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H16FNOS/c21-18-8-4-5-9-19(18)22-20(23)16-12-10-15(11-13-16)14-24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyHGXMETNLBFLGNG-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.37
Rot. Bonds5

About N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide

N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide (PubChem CID 2899761) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
PubChem CID2899761
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC NameN-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H16FNOS/c21-18-8-4-5-9-19(18)22-20(23)16-12-10-15(11-13-16)14-24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyHGXMETNLBFLGNG-UHFFFAOYSA-N
XLogP5.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-4-(phenylsulfanylmethyl)benzamide
CID 135365964
1-N-(4-ethylphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049753
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 126129121
N-[4-[(4-fluorophenyl)sulfanylmethyl]phenyl]benzamide
CID 3731209
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-[3-(hydroxymethyl)phenyl]-4-(phenylsulfanylmethyl)benzamide
CID 112766684
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
N-[2-(ethylamino)ethyl]-4-(phenylsulfanylmethyl)benzamide
CID 119509159
4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-fluorophenyl)benzamide
CID 42754315
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 1260786
N-(2,4-difluorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 30392683
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide (CID 2899761) is N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide is O=C(Nc1ccccc1F)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide?
The InChIKey is HGXMETNLBFLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNOS/c21-18-8-4-5-9-19(18)22-20(23)16-12-10-15(11-13-16)14-24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23).
What are the key properties of N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide?
N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(phenylsulfanylmethyl)benzamide is sourced from PubChem (CID 2899761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).