2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide

C26H25ClF2N2O — CID 134802151

IUPAC2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C26H25ClF2N2O/c27-22-6-2-3-18(14-22)15-26(32)30-23-9-11-31(12-10-23)17-19-4-1-5-20(13-19)21-7-8-24(28)25(29)16-21/h1-8,13-14,16,23H,9-12,15,17H2,(H,30,32)
InChIKeyDCUVKUCVCVBTDB-UHFFFAOYSA-N
MW454.95 g/mol
LogP5.61
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide

2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 134802151) has the molecular formula C26H25ClF2N2O and a molecular weight of 454.95 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID134802151
Molecular FormulaC26H25ClF2N2O
Molecular Weight454.95 g/mol
Exact Mass454.16
IUPAC Name2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1
InChIInChI=1S/C26H25ClF2N2O/c27-22-6-2-3-18(14-22)15-26(32)30-23-9-11-31(12-10-23)17-19-4-1-5-20(13-19)21-7-8-24(28)25(29)16-21/h1-8,13-14,16,23H,9-12,15,17H2,(H,30,32)
InChIKeyDCUVKUCVCVBTDB-UHFFFAOYSA-N
XLogP5.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.95
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 134802151) is 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide is O=C(Cc1cccc(Cl)c1)NC1CCN(Cc2cccc(-c3ccc(F)c(F)c3)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is DCUVKUCVCVBTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N2O/c27-22-6-2-3-18(14-22)15-26(32)30-23-9-11-31(12-10-23)17-19-4-1-5-20(13-19)21-7-8-24(28)25(29)16-21/h1-8,13-14,16,23H,9-12,15,17H2,(H,30,32).
What are the key properties of 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 454.95 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134802151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).