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

C20H21ClF2N2O — CID 23723802

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClF2N2O/c21-16-8-6-14(7-9-16)12-25-10-2-4-17(13-25)24-19(26)11-15-3-1-5-18(22)20(15)23/h1,3,5-9,17H,2,4,10-13H2,(H,24,26)
InChIKeyCWDIRVDDDGOFJJ-UHFFFAOYSA-N
MW378.85 g/mol
LogP3.94
Rot. Bonds5

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

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide (PubChem CID 23723802) has the molecular formula C20H21ClF2N2O and a molecular weight of 378.85 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide
PubChem CID23723802
Molecular FormulaC20H21ClF2N2O
Molecular Weight378.85 g/mol
Exact Mass378.13
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)NC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H21ClF2N2O/c21-16-8-6-14(7-9-16)12-25-10-2-4-17(13-25)24-19(26)11-15-3-1-5-18(22)20(15)23/h1,3,5-9,17H,2,4,10-13H2,(H,24,26)
InChIKeyCWDIRVDDDGOFJJ-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.85
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide (CID 23723802) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide is O=C(Cc1cccc(F)c1F)NC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
The InChIKey is CWDIRVDDDGOFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N2O/c21-16-8-6-14(7-9-16)12-25-10-2-4-17(13-25)24-19(26)11-15-3-1-5-18(22)20(15)23/h1,3,5-9,17H,2,4,10-13H2,(H,24,26).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide has a molecular weight of 378.85 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 23723802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).