N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide

C15H13ClFNOS — CID 7774576

IUPACN-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H13ClFNOS/c1-20-9-10-2-4-11(5-3-10)15(19)18-14-7-6-12(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQZLIVIDVLKDCAX-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.59
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide

N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 7774576) has the molecular formula C15H13ClFNOS and a molecular weight of 309.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
PubChem CID7774576
Molecular FormulaC15H13ClFNOS
Molecular Weight309.79 g/mol
Exact Mass309.04
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C15H13ClFNOS/c1-20-9-10-2-4-11(5-3-10)15(19)18-14-7-6-12(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQZLIVIDVLKDCAX-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
CID 62241320
N-(4-chloro-2-fluorophenyl)-4-(ethylsulfamoyl)benzamide
CID 9211461
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
CID 86930596
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
CID 35323397
3,5-diamino-N-(4-chloro-2-fluorophenyl)benzamide
CID 61111533
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide (CID 7774576) is N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is QZLIVIDVLKDCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNOS/c1-20-9-10-2-4-11(5-3-10)15(19)18-14-7-6-12(16)8-13(14)17/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide?
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 309.79 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 7774576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).