N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide

C22H17ClFNO3 — CID 166365974

IUPACN-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide
SMILESO=C(Cc1ccc2oc3ccccc3c2c1)NCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C22H17ClFNO3/c23-16-5-3-6-17(24)22(16)18(26)12-25-21(27)11-13-8-9-20-15(10-13)14-4-1-2-7-19(14)28-20/h1-10,18,26H,11-12H2,(H,25,27)
InChIKeyRRUBLNMKKWKOEK-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide

N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide (PubChem CID 166365974) has the molecular formula C22H17ClFNO3 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide
PubChem CID166365974
Molecular FormulaC22H17ClFNO3
Molecular Weight397.83 g/mol
Exact Mass397.09
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide
SMILESO=C(Cc1ccc2oc3ccccc3c2c1)NCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C22H17ClFNO3/c23-16-5-3-6-17(24)22(16)18(26)12-25-21(27)11-13-8-9-20-15(10-13)14-4-1-2-7-19(14)28-20/h1-10,18,26H,11-12H2,(H,25,27)
InChIKeyRRUBLNMKKWKOEK-UHFFFAOYSA-N
XLogP4.77
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-(3-nitrophenyl)acetamide
CID 75512350
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
2-(4-acetamidophenyl)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451423
2-[(2,3-dichlorophenyl)methyl]dibenzofuran
CID 167572111
2-(2-chloro-6-fluorophenyl)-N-[(2R)-2-hydroxy-3-phenylpropyl]acetamide
CID 98622782
1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111972025
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 99787158
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide (CID 166365974) is N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide is O=C(Cc1ccc2oc3ccccc3c2c1)NCC(O)c1c(F)cccc1Cl.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide?
The InChIKey is RRUBLNMKKWKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO3/c23-16-5-3-6-17(24)22(16)18(26)12-25-21(27)11-13-8-9-20-15(10-13)14-4-1-2-7-19(14)28-20/h1-10,18,26H,11-12H2,(H,25,27).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide?
N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide has a molecular weight of 397.83 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-dibenzofuran-2-ylacetamide is sourced from PubChem (CID 166365974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).