N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide

C22H22N2O3 — CID 166401804

IUPACN-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C22H22N2O3/c25-19-12-13-24(15-19)18-10-8-17(9-11-18)22(26)23-21(20-7-4-14-27-20)16-5-2-1-3-6-16/h1-11,14,19,21,25H,12-13,15H2,(H,23,26)
InChIKeyVXFMBUCEQHJPIM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.37
Rot. Bonds5

About N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide

N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide (PubChem CID 166401804) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
PubChem CID166401804
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccc(N2CCC(O)C2)cc1
InChIInChI=1S/C22H22N2O3/c25-19-12-13-24(15-19)18-10-8-17(9-11-18)22(26)23-21(20-7-4-14-27-20)16-5-2-1-3-6-16/h1-11,14,19,21,25H,12-13,15H2,(H,23,26)
InChIKeyVXFMBUCEQHJPIM-UHFFFAOYSA-N
XLogP3.37
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide (CID 166401804) is N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide is O=C(NC(c1ccccc1)c1ccco1)c1ccc(N2CCC(O)C2)cc1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
The InChIKey is VXFMBUCEQHJPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-19-12-13-24(15-19)18-10-8-17(9-11-18)22(26)23-21(20-7-4-14-27-20)16-5-2-1-3-6-16/h1-11,14,19,21,25H,12-13,15H2,(H,23,26).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide?
N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-4-(3-hydroxypyrrolidin-1-yl)benzamide is sourced from PubChem (CID 166401804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).