N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide

C24H20F4N2O3 — CID 44545501

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESO=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C24H20F4N2O3/c25-18-4-1-15(2-5-18)22(31)23(32)30(20-7-8-21-16(13-20)10-12-33-21)11-9-19-6-3-17(14-29-19)24(26,27)28/h1-8,13-14,22,31H,9-12H2
InChIKeyWAFFWPGBWDNVCJ-UHFFFAOYSA-N
MW460.43 g/mol
LogP4.48
Rot. Bonds6

About N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide

N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 44545501) has the molecular formula C24H20F4N2O3 and a molecular weight of 460.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
PubChem CID44545501
Molecular FormulaC24H20F4N2O3
Molecular Weight460.43 g/mol
Exact Mass460.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESO=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCO2
InChIInChI=1S/C24H20F4N2O3/c25-18-4-1-15(2-5-18)22(31)23(32)30(20-7-8-21-16(13-20)10-12-33-21)11-9-19-6-3-17(14-29-19)24(26,27)28/h1-8,13-14,22,31H,9-12H2
InChIKeyWAFFWPGBWDNVCJ-UHFFFAOYSA-N
XLogP4.48
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 66637478
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 66637331
(2S,3S)-N-(2,3-dihydro-1H-inden-5-yl)-N'-(4-fluoro-3-methylphenyl)-2,3-bis(4-fluorophenyl)-2,3-dihydroxy-N,N'-bis[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]butanediamide
CID 87241622
(2S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)ethyl]-2-phenylacetamide;hydrochloride
CID 68935177
[(1S)-2-[3,4-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]anilino]-2-oxo-1-phenylethyl]carbamic acid
CID 174614053
2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
2-hydroxy-2-phenyl-N-quinolin-6-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 66637338
1-(2,3-dihydro-1-benzofuran-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 69046080
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 104542557
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55490002

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (CID 44545501) is N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is O=C(C(O)c1ccc(F)cc1)N(CCc1ccc(C(F)(F)F)cn1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is WAFFWPGBWDNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O3/c25-18-4-1-15(2-5-18)22(31)23(32)30(20-7-8-21-16(13-20)10-12-33-21)11-9-19-6-3-17(14-29-19)24(26,27)28/h1-8,13-14,22,31H,9-12H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 460.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-hydroxy-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 44545501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).