2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide

C20H24F2N2O2 — CID 68808257

IUPAC2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC1=CC(N2CCOCC2)=CCC1(C)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H24F2N2O2/c1-14-11-16(24-7-9-26-10-8-24)5-6-20(14,2)23-19(25)13-15-3-4-17(21)18(22)12-15/h3-5,11-12H,6-10,13H2,1-2H3,(H,23,25)
InChIKeyRDFIAPRCAVTVFL-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.95
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide

2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 68808257) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide
PubChem CID68808257
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC Name2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC1=CC(N2CCOCC2)=CCC1(C)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H24F2N2O2/c1-14-11-16(24-7-9-26-10-8-24)5-6-20(14,2)23-19(25)13-15-3-4-17(21)18(22)12-15/h3-5,11-12H,6-10,13H2,1-2H3,(H,23,25)
InChIKeyRDFIAPRCAVTVFL-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide (CID 68808257) is 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide is CC1=CC(N2CCOCC2)=CCC1(C)NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is RDFIAPRCAVTVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-14-11-16(24-7-9-26-10-8-24)5-6-20(14,2)23-19(25)13-15-3-4-17(21)18(22)12-15/h3-5,11-12H,6-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide?
2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 362.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(1,2-dimethyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 68808257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).