N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide

C20H20FNO4 — CID 97428375

IUPACN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@](C)(OC)c3ccccc3F)oc12
InChIInChI=1S/C20H20FNO4/c1-20(25-3,14-8-4-5-9-15(14)21)12-22-19(23)17-11-13-7-6-10-16(24-2)18(13)26-17/h4-11H,12H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyQRAMWVGJTSGJPK-HXUWFJFHSA-N
MW357.38 g/mol
LogP3.87
Rot. Bonds6

About N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 97428375) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID97428375
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC NameN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC[C@@](C)(OC)c3ccccc3F)oc12
InChIInChI=1S/C20H20FNO4/c1-20(25-3,14-8-4-5-9-15(14)21)12-22-19(23)17-11-13-7-6-10-16(24-2)18(13)26-17/h4-11H,12H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyQRAMWVGJTSGJPK-HXUWFJFHSA-N
XLogP3.87
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
7-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1-benzofuran-2-carboxamide
CID 56764219
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
CID 90599147
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[2-(1-benzofuran-2-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 99809958
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
CID 90599146

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 97428375) is N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC[C@@](C)(OC)c3ccccc3F)oc12.
What is the InChIKey of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is QRAMWVGJTSGJPK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-20(25-3,14-8-4-5-9-15(14)21)12-22-19(23)17-11-13-7-6-10-16(24-2)18(13)26-17/h4-11H,12H2,1-3H3,(H,22,23)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97428375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).