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

C25H24FNO3 — CID 124963694

IUPAC(2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide
SMILESC[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NCc3ccc(CO)cc3)ccc2O1
InChIInChI=1S/C25H24FNO3/c1-25(13-20-4-2-3-5-22(20)26)14-21-12-19(10-11-23(21)30-25)24(29)27-15-17-6-8-18(16-28)9-7-17/h2-12,28H,13-16H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyHRZGOBJURCMQMH-VWLOTQADSA-N
MW405.47 g/mol
LogP4.18
Rot. Bonds6

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

(2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide (PubChem CID 124963694) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide
PubChem CID124963694
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name(2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide
SMILESC[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NCc3ccc(CO)cc3)ccc2O1
InChIInChI=1S/C25H24FNO3/c1-25(13-20-4-2-3-5-22(20)26)14-21-12-19(10-11-23(21)30-25)24(29)27-15-17-6-8-18(16-28)9-7-17/h2-12,28H,13-16H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyHRZGOBJURCMQMH-VWLOTQADSA-N
XLogP4.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide
CID 125015928
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110161407
2-[[(2S)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(3-methylphenyl)ethyl]amino]acetic acid
CID 124980886
(2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 125010726
2-[[2-[(4-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(2-fluorophenyl)ethyl]amino]acetic acid
CID 110165294
2-[(4-bromo-2-fluorophenyl)methyl-[(2S)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]amino]acetic acid
CID 124950546
2-[2-(2-fluorophenyl)ethyl-[2-[(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]acetyl]amino]acetic acid
CID 129455837
2-[2-(4-fluorophenyl)ethyl-[2-[(2S)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]acetyl]amino]acetic acid
CID 125012190
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
2-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide
CID 155988867
2-[3-[(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]propanoyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 124947539
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 107231658

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide?
The IUPAC name of (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide (CID 124963694) is (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide is C[C@]1(Cc2ccccc2F)Cc2cc(C(=O)NCc3ccc(CO)cc3)ccc2O1.
What is the InChIKey of (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide?
The InChIKey is HRZGOBJURCMQMH-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24FNO3/c1-25(13-20-4-2-3-5-22(20)26)14-21-12-19(10-11-23(21)30-25)24(29)27-15-17-6-8-18(16-28)9-7-17/h2-12,28H,13-16H2,1H3,(H,27,29)/t25-/m0/s1.
What are the key properties of (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide?
(2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorophenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 124963694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).