7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide

C20H20FNO3 — CID 124731741

IUPAC7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C[C@@H](CO)CNC(=O)c2cc3cccc(F)c3o2)cc1
InChIInChI=1S/C20H20FNO3/c1-13-5-7-14(8-6-13)9-15(12-23)11-22-20(24)18-10-16-3-2-4-17(21)19(16)25-18/h2-8,10,15,23H,9,11-12H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyJDRSAFLNIQMRNX-OAHLLOKOSA-N
MW341.38 g/mol
LogP3.46
Rot. Bonds6

About 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide

7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 124731741) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
PubChem CID124731741
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C[C@@H](CO)CNC(=O)c2cc3cccc(F)c3o2)cc1
InChIInChI=1S/C20H20FNO3/c1-13-5-7-14(8-6-13)9-15(12-23)11-22-20(24)18-10-16-3-2-4-17(21)19(16)25-18/h2-8,10,15,23H,9,11-12H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyJDRSAFLNIQMRNX-OAHLLOKOSA-N
XLogP3.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]acetamide
CID 82350206
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827
7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111972025
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111486301
N-ethyl-3-[[[(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]carbamoylamino]methyl]benzamide
CID 124847725
2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114736846
3-amino-1-(7-fluoro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737156
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide (CID 124731741) is 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide is Cc1ccc(C[C@@H](CO)CNC(=O)c2cc3cccc(F)c3o2)cc1.
What is the InChIKey of 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is JDRSAFLNIQMRNX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-13-5-7-14(8-6-13)9-15(12-23)11-22-20(24)18-10-16-3-2-4-17(21)19(16)25-18/h2-8,10,15,23H,9,11-12H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2R)-2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124731741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).