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

C19H20FNO3 — CID 110161407

IUPAC2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
SMILESCC1(Cc2ccc(F)cc2)Cc2cc(C(=O)NCCO)ccc2O1
InChIInChI=1S/C19H20FNO3/c1-19(11-13-2-5-16(20)6-3-13)12-15-10-14(4-7-17(15)24-19)18(23)21-8-9-22/h2-7,10,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyIAJXDDQSUPSNGM-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.48
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide (PubChem CID 110161407) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
PubChem CID110161407
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide
SMILESCC1(Cc2ccc(F)cc2)Cc2cc(C(=O)NCCO)ccc2O1
InChIInChI=1S/C19H20FNO3/c1-19(11-13-2-5-16(20)6-3-13)12-15-10-14(4-7-17(15)24-19)18(23)21-8-9-22/h2-7,10,22H,8-9,11-12H2,1H3,(H,21,23)
InChIKeyIAJXDDQSUPSNGM-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
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-methyl-N-(2-propan-2-yloxyethyl)-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carboxamide
CID 155988867
2-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110161411
2-[(4-chloro-3-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 110165210
(2R)-2-[(2-fluorophenyl)methyl]-2-methyl-N-(oxan-4-yl)-3H-1-benzofuran-5-carboxamide
CID 125015928
2-[(2-chloro-4-fluorophenyl)methyl-[2-[(4-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]amino]acetic acid
CID 110161439
2-[[(2S)-2-benzyl-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(3-fluorophenyl)ethyl]amino]acetic acid
CID 129457481
N-(2-hydroxyethyl)-2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-7-carboxamide
CID 94980333
2-[(2S)-2-[(4-chloro-3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 124940840
3-[[2-[(4-tert-butylphenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]-[(3-fluorophenyl)methyl]amino]propanoic acid
CID 132768679
2-[3-[(2S)-2-[(4-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]propanoyl-[(4-fluorophenyl)methyl]amino]acetic acid
CID 124985091
(2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
CID 125010726

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide (CID 110161407) is 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide is CC1(Cc2ccc(F)cc2)Cc2cc(C(=O)NCCO)ccc2O1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide?
The InChIKey is IAJXDDQSUPSNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-19(11-13-2-5-16(20)6-3-13)12-15-10-14(4-7-17(15)24-19)18(23)21-8-9-22/h2-7,10,22H,8-9,11-12H2,1H3,(H,21,23).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide?
2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-methyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 110161407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).