N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

C18H17ClFNO2S — CID 9045013

IUPACN-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C18H17ClFNO2S/c19-12-7-8-16(15(20)10-12)21-18(22)14-5-1-2-6-17(14)24-11-13-4-3-9-23-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,22)/t13-/m1/s1
InChIKeyIZUGDQVNZBJGHR-CYBMUJFWSA-N
MW365.86 g/mol
LogP5.00
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (PubChem CID 9045013) has the molecular formula C18H17ClFNO2S and a molecular weight of 365.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
PubChem CID9045013
Molecular FormulaC18H17ClFNO2S
Molecular Weight365.86 g/mol
Exact Mass365.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C18H17ClFNO2S/c19-12-7-8-16(15(20)10-12)21-18(22)14-5-1-2-6-17(14)24-11-13-4-3-9-23-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,22)/t13-/m1/s1
InChIKeyIZUGDQVNZBJGHR-CYBMUJFWSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9045083
N-(4-acetamido-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56580443
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55435197
N-[(4-fluoro-3-methylphenyl)methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 24584032
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042785
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733542
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (CID 9045013) is N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is O=C(Nc1ccc(Cl)cc1F)c1ccccc1SC[C@H]1CCCO1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The InChIKey is IZUGDQVNZBJGHR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClFNO2S/c19-12-7-8-16(15(20)10-12)21-18(22)14-5-1-2-6-17(14)24-11-13-4-3-9-23-13/h1-2,5-8,10,13H,3-4,9,11H2,(H,21,22)/t13-/m1/s1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide has a molecular weight of 365.86 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is sourced from PubChem (CID 9045013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).