N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

C15H12Cl2FNO2 — CID 111452346

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C15H12Cl2FNO2/c16-10-5-3-6-11(17)14(10)13(20)8-19-15(21)9-4-1-2-7-12(9)18/h1-7,13,20H,8H2,(H,19,21)
InChIKeyOKMBAVGNZQJGJN-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 111452346) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID111452346
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)c1ccccc1F
InChIInChI=1S/C15H12Cl2FNO2/c16-10-5-3-6-11(17)14(10)13(20)8-19-15(21)9-4-1-2-7-12(9)18/h1-7,13,20H,8H2,(H,19,21)
InChIKeyOKMBAVGNZQJGJN-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-fluoro-4-nitrobenzamide
CID 111451339
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770297
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-ethylbutanamide
CID 111912027
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (CID 111452346) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is O=C(NCC(O)c1c(Cl)cccc1Cl)c1ccccc1F.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is OKMBAVGNZQJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c16-10-5-3-6-11(17)14(10)13(20)8-19-15(21)9-4-1-2-7-12(9)18/h1-7,13,20H,8H2,(H,19,21).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 328.17 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 111452346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).