N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

C23H23FN2O4 — CID 56581466

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)o1
InChIInChI=1S/C23H23FN2O4/c1-28-19-9-2-3-10-20(19)29-15-16-11-12-21(30-16)23(27)25-22-17(24)7-6-8-18(22)26-13-4-5-14-26/h2-3,6-12H,4-5,13-15H2,1H3,(H,25,27)
InChIKeyUABSFQQBIGWMQI-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.86
Rot. Bonds7

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 56581466) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID56581466
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)o1
InChIInChI=1S/C23H23FN2O4/c1-28-19-9-2-3-10-20(19)29-15-16-11-12-21(30-16)23(27)25-22-17(24)7-6-8-18(22)26-13-4-5-14-26/h2-3,6-12H,4-5,13-15H2,1H3,(H,25,27)
InChIKeyUABSFQQBIGWMQI-UHFFFAOYSA-N
XLogP4.86
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N-(2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 78884002
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
CID 56581470
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
5-[(2-methoxyphenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 3542536
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86833145
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55784838
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
1-[3-fluoro-4-[4-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55760106
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 49168966

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 56581466) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)o1.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is UABSFQQBIGWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-28-19-9-2-3-10-20(19)29-15-16-11-12-21(30-16)23(27)25-22-17(24)7-6-8-18(22)26-13-4-5-14-26/h2-3,6-12H,4-5,13-15H2,1H3,(H,25,27).
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 56581466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).