N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C25H26F2N2O2 — CID 164851902

IUPACN-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(F)cc1F)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H26F2N2O2/c26-21-9-8-20(23(27)17-21)18-29(25(30)24-7-4-16-31-24)22-11-14-28(15-12-22)13-10-19-5-2-1-3-6-19/h1-9,16-17,22H,10-15,18H2
InChIKeyBGHIBWGTCUJLRC-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.91
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 164851902) has the molecular formula C25H26F2N2O2 and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID164851902
Molecular FormulaC25H26F2N2O2
Molecular Weight424.49 g/mol
Exact Mass424.20
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccc(F)cc1F)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H26F2N2O2/c26-21-9-8-20(23(27)17-21)18-29(25(30)24-7-4-16-31-24)22-11-14-28(15-12-22)13-10-19-5-2-1-3-6-19/h1-9,16-17,22H,10-15,18H2
InChIKeyBGHIBWGTCUJLRC-UHFFFAOYSA-N
XLogP4.91
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 164851902) is N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccc(F)cc1F)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is BGHIBWGTCUJLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O2/c26-21-9-8-20(23(27)17-21)18-29(25(30)24-7-4-16-31-24)22-11-14-28(15-12-22)13-10-19-5-2-1-3-6-19/h1-9,16-17,22H,10-15,18H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 164851902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).