5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide

C22H19FN2O3 — CID 99613859

IUPAC5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H19FN2O3/c23-17-7-5-16(6-8-17)19-11-12-20(28-19)22(27)24-18-9-3-15(4-10-18)14-25-13-1-2-21(25)26/h3-12H,1-2,13-14H2,(H,24,27)
InChIKeyHKGZCHDJASRAJY-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.46
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide

5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide (PubChem CID 99613859) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide
PubChem CID99613859
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H19FN2O3/c23-17-7-5-16(6-8-17)19-11-12-20(28-19)22(27)24-18-9-3-15(4-10-18)14-25-13-1-2-21(25)26/h3-12H,1-2,13-14H2,(H,24,27)
InChIKeyHKGZCHDJASRAJY-UHFFFAOYSA-N
XLogP4.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27163463
5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 3301806
1-[(4-fluorophenyl)methyl]azepan-2-one
CID 154273809
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
5-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 56556263
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 3966272
2-amino-2-methyl-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119285117
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 1316619

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide (CID 99613859) is 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide?
The InChIKey is HKGZCHDJASRAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-17-7-5-16(6-8-17)19-11-12-20(28-19)22(27)24-18-9-3-15(4-10-18)14-25-13-1-2-21(25)26/h3-12H,1-2,13-14H2,(H,24,27).
What are the key properties of 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide?
5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 99613859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).