N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

C22H23FN2O3 — CID 46963956

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)cc2c1C(=O)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C22H23FN2O3/c1-14-21(18-12-17(26)8-9-20(18)28-14)22(27)24-13-19(25-10-2-3-11-25)15-4-6-16(23)7-5-15/h4-9,12,19,26H,2-3,10-11,13H2,1H3,(H,24,27)
InChIKeyUPEUKDXTLPZPDC-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.15
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 46963956) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
PubChem CID46963956
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)cc2c1C(=O)NCC(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C22H23FN2O3/c1-14-21(18-12-17(26)8-9-20(18)28-14)22(27)24-13-19(25-10-2-3-11-25)15-4-6-16(23)7-5-15/h4-9,12,19,26H,2-3,10-11,13H2,1H3,(H,24,27)
InChIKeyUPEUKDXTLPZPDC-UHFFFAOYSA-N
XLogP4.15
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)propyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 46963997
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110623869
5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985399
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45136478
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45155245
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 118782996
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72879927
5-fluoro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052704

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide (CID 46963956) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(O)cc2c1C(=O)NCC(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is UPEUKDXTLPZPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-14-21(18-12-17(26)8-9-20(18)28-14)22(27)24-13-19(25-10-2-3-11-25)15-4-6-16(23)7-5-15/h4-9,12,19,26H,2-3,10-11,13H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46963956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).