N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide

C16H16FNOS — CID 2555604

IUPACN-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-20-11-13-2-6-14(7-3-13)16(19)18-10-12-4-8-15(17)9-5-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyLXHIECVZTGWNFI-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.62
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide

N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 2555604) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID2555604
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-20-11-13-2-6-14(7-3-13)16(19)18-10-12-4-8-15(17)9-5-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyLXHIECVZTGWNFI-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide (CID 2555604) is N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is LXHIECVZTGWNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-20-11-13-2-6-14(7-3-13)16(19)18-10-12-4-8-15(17)9-5-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide?
N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 289.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 2555604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).