N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide

C24H26ClF3N2O2 — CID 45177255

IUPACN-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C24H26ClF3N2O2/c1-3-23(31)29(2)22(13-16-4-6-18(26)14-21(16)28)15-8-10-30(11-9-15)24(32)17-5-7-20(27)19(25)12-17/h4-7,12,14-15,22H,3,8-11,13H2,1-2H3
InChIKeyFOQZPQVPIZSMJU-UHFFFAOYSA-N
MW466.93 g/mol
LogP5.09
Rot. Bonds6

About N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide

N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide (PubChem CID 45177255) has the molecular formula C24H26ClF3N2O2 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide
PubChem CID45177255
Molecular FormulaC24H26ClF3N2O2
Molecular Weight466.93 g/mol
Exact Mass466.16
IUPAC NameN-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide
SMILESCCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C24H26ClF3N2O2/c1-3-23(31)29(2)22(13-16-4-6-18(26)14-21(16)28)15-8-10-30(11-9-15)24(32)17-5-7-20(27)19(25)12-17/h4-7,12,14-15,22H,3,8-11,13H2,1-2H3
InChIKeyFOQZPQVPIZSMJU-UHFFFAOYSA-N
XLogP5.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.93
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
The IUPAC name of N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide (CID 45177255) is N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide is CCC(=O)N(C)C(Cc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
The InChIKey is FOQZPQVPIZSMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N2O2/c1-3-23(31)29(2)22(13-16-4-6-18(26)14-21(16)28)15-8-10-30(11-9-15)24(32)17-5-7-20(27)19(25)12-17/h4-7,12,14-15,22H,3,8-11,13H2,1-2H3.
What are the key properties of N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide?
N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide has a molecular weight of 466.93 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-2-(2,4-difluorophenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 45177255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).