N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide

C17H18FNO2S — CID 110888923

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-22-11-12-2-4-14(5-3-12)17(21)19-10-16(20)13-6-8-15(18)9-7-13/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyBXEJQNMUMTZAEV-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.15
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 110888923) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID110888923
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2S/c1-22-11-12-2-4-14(5-3-12)17(21)19-10-16(20)13-6-8-15(18)9-7-13/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyBXEJQNMUMTZAEV-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 110929854
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 38535028
3-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-methylbenzamide
CID 110888781
N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide
CID 103771543
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfanylmethyl)benzamide
CID 65031383
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
3-[(dimethylamino)methyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111458155
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide (CID 110888923) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is BXEJQNMUMTZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-22-11-12-2-4-14(5-3-12)17(21)19-10-16(20)13-6-8-15(18)9-7-13/h2-9,16,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 319.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 110888923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).