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

C19H18FNO3 — CID 90599093

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C19H18FNO3/c1-19(23-2,14-8-4-5-9-15(14)20)12-21-18(22)17-11-13-7-3-6-10-16(13)24-17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyWWRSHHDUMCSTFP-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.86
Rot. Bonds5

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

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide (PubChem CID 90599093) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
PubChem CID90599093
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide
SMILESCOC(C)(CNC(=O)c1cc2ccccc2o1)c1ccccc1F
InChIInChI=1S/C19H18FNO3/c1-19(23-2,14-8-4-5-9-15(14)20)12-21-18(22)17-11-13-7-3-6-10-16(13)24-17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyWWRSHHDUMCSTFP-UHFFFAOYSA-N
XLogP3.86
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-oxochromene-2-carboxamide
CID 90599147
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97428375
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
CID 90599483
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-1-benzofuran-2-carboxamide
CID 71787283
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 103839648

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide (CID 90599093) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide is COC(C)(CNC(=O)c1cc2ccccc2o1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide?
The InChIKey is WWRSHHDUMCSTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-19(23-2,14-8-4-5-9-15(14)20)12-21-18(22)17-11-13-7-3-6-10-16(13)24-17/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 90599093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).