(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide

C22H24FNO3 — CID 125015928

IUPAC(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide
SMILESC[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NC3CCOCC3)ccc2O1
InChIInChI=1S/C22H24FNO3/c1-22(13-16-4-2-3-5-19(16)23)14-17-12-15(6-7-20(17)27-22)21(25)24-18-8-10-26-11-9-18/h2-7,12,18H,8-11,13-14H2,1H3,(H,24,25)/t22-/m0/s1
InChIKeyWXDLNAYRNJOLGR-QFIPXVFZSA-N
MW369.44 g/mol
LogP3.67
Rot. Bonds4

About (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide

(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide (PubChem CID 125015928) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide
PubChem CID125015928
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide
SMILESC[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NC3CCOCC3)ccc2O1
InChIInChI=1S/C22H24FNO3/c1-22(13-16-4-2-3-5-19(16)23)14-17-12-15(6-7-20(17)27-22)21(25)24-18-8-10-26-11-9-18/h2-7,12,18H,8-11,13-14H2,1H3,(H,24,25)/t22-/m0/s1
InChIKeyWXDLNAYRNJOLGR-QFIPXVFZSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide
CID 124963694
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110161407
2-[(4-bromo-2-fluorophenyl)methyl-[(2S)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]amino]acetic acid
CID 124950546
2-[[(2S)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(3-methylphenyl)ethyl]amino]acetic acid
CID 124980886
2-[2-(4-fluorophenyl)ethyl-[2-[(2S)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]acetyl]amino]acetic acid
CID 125012190
2-[2-(2-fluorophenyl)ethyl-[2-[(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]acetyl]amino]acetic acid
CID 129455837
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide
CID 138002572
2-[2-(4-chlorophenyl)ethyl-[2-[2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]acetyl]amino]acetic acid
CID 132768472
N-cyclopropyl-4-[2-(2-fluoroanilino)-2-oxoethyl]-2,2-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 3222999
2-[(3-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carboxylic acid
CID 175662582
N-cyclopropyl-4-fluoro-3-(methylaminomethyl)benzamide;ethane
CID 142344711

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide?
The IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide (CID 125015928) is (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide is C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NC3CCOCC3)ccc2O1.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide?
The InChIKey is WXDLNAYRNJOLGR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-22(13-16-4-2-3-5-19(16)23)14-17-12-15(6-7-20(17)27-22)21(25)24-18-8-10-26-11-9-18/h2-7,12,18H,8-11,13-14H2,1H3,(H,24,25)/t22-/m0/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide?
(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 125015928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).