N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide

C15H14FNOS — CID 2592173

IUPACN-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDPRSNEFBULLPSI-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.48
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide

N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide (PubChem CID 2592173) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide
PubChem CID2592173
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDPRSNEFBULLPSI-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.48
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]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide (CID 2592173) is N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide?
The InChIKey is DPRSNEFBULLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide?
N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 2592173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).