N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

C22H19N3O4 — CID 9371428

IUPACN-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19N3O4/c26-20-4-1-13-25(20)18-11-9-17(10-12-18)23-21(27)15-5-7-16(8-6-15)24-22(28)19-3-2-14-29-19/h2-3,5-12,14H,1,4,13H2,(H,23,27)(H,24,28)
InChIKeyALJYQPHUSHSMEY-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.91
Rot. Bonds5

About N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9371428) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9371428
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19N3O4/c26-20-4-1-13-25(20)18-11-9-17(10-12-18)23-21(27)15-5-7-16(8-6-15)24-22(28)19-3-2-14-29-19/h2-3,5-12,14H,1,4,13H2,(H,23,27)(H,24,28)
InChIKeyALJYQPHUSHSMEY-UHFFFAOYSA-N
XLogP3.91
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 42014564
N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
CID 27838033
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-[4-(3-oxomorpholin-4-yl)phenyl]furan-2-carboxamide
CID 110363534
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]furan-2-carboxamide
CID 110666832
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide (CID 9371428) is N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ALJYQPHUSHSMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-20-4-1-13-25(20)18-11-9-17(10-12-18)23-21(27)15-5-7-16(8-6-15)24-22(28)19-3-2-14-29-19/h2-3,5-12,14H,1,4,13H2,(H,23,27)(H,24,28).
What are the key properties of N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9371428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).