N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide

C22H25ClFNOS — CID 121391204

IUPACN-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1SC1CCCCC1
InChIInChI=1S/C22H25ClFNOS/c1-2-6-15-9-10-16(13-21(15)27-18-7-4-3-5-8-18)22(26)25-17-11-12-20(24)19(23)14-17/h9-14,18H,2-8H2,1H3,(H,25,26)
InChIKeyUZAPOGDMFRCYCH-UHFFFAOYSA-N
MW405.97 g/mol
LogP7.11
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide

N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide (PubChem CID 121391204) has the molecular formula C22H25ClFNOS and a molecular weight of 405.97 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide
PubChem CID121391204
Molecular FormulaC22H25ClFNOS
Molecular Weight405.97 g/mol
Exact Mass405.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1SC1CCCCC1
InChIInChI=1S/C22H25ClFNOS/c1-2-6-15-9-10-16(13-21(15)27-18-7-4-3-5-8-18)22(26)25-17-11-12-20(24)19(23)14-17/h9-14,18H,2-8H2,1H3,(H,25,26)
InChIKeyUZAPOGDMFRCYCH-UHFFFAOYSA-N
XLogP7.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.97
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide
CID 121391197
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(1S,3S)-3-hydroxycycloheptyl]sulfanylbenzamide
CID 121364104
3-(4-hydroxycyclohexyl)sulfanyl-4-propyl-N-(3,4,5-trifluorophenyl)benzamide
CID 121391213
N-(3-chloro-4-fluorophenyl)-3-(4-hydroxycyclohexyl)sulfanyl-4-methylbenzamide
CID 121370731
N-(3-chloro-4-fluorophenyl)-3-(3,3-dimethylcyclohexyl)sulfanyl-4-iodobenzamide
CID 121391203
4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide
CID 145366635
3-[5-[(3-chloro-4-fluorophenyl)carbamoyl]-2-fluorophenyl]sulfanylcyclopentane-1-carboxylic acid
CID 121364084
N-(3-chloro-4-fluorophenyl)-4-iodo-3-(oxolan-3-ylsulfanyl)benzamide
CID 121391201
N-(3-amino-4-ethylphenyl)-3-chloro-4-fluorobenzamide
CID 82874897
N-(3-chloro-4-fluorophenyl)-3-[(3R)-3-hydroxycycloheptyl]sulfanylbenzamide
CID 121370723
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
3-(4-acetylcyclohexyl)sulfanyl-N-(3,4-difluorophenyl)-4-fluorobenzamide
CID 121370673

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide (CID 121391204) is N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1SC1CCCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide?
The InChIKey is UZAPOGDMFRCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFNOS/c1-2-6-15-9-10-16(13-21(15)27-18-7-4-3-5-8-18)22(26)25-17-11-12-20(24)19(23)14-17/h9-14,18H,2-8H2,1H3,(H,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide?
N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide has a molecular weight of 405.97 g/mol, XLogP of 7.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide is sourced from PubChem (CID 121391204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).