N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide

C20H22F2N2O2 — CID 113058813

IUPACN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H22F2N2O2/c1-12-9-13(2)19(14(3)10-12)24(15(4)25)8-7-23-20(26)16-5-6-17(21)18(22)11-16/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)
InChIKeyWDLGNXKMTSQZQG-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide

N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide (PubChem CID 113058813) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
PubChem CID113058813
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC NameN-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H22F2N2O2/c1-12-9-13(2)19(14(3)10-12)24(15(4)25)8-7-23-20(26)16-5-6-17(21)18(22)11-16/h5-6,9-11H,7-8H2,1-4H3,(H,23,26)
InChIKeyWDLGNXKMTSQZQG-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113060172
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
CID 113060167
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113063065
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide (CID 113058813) is N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide?
The InChIKey is WDLGNXKMTSQZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-12-9-13(2)19(14(3)10-12)24(15(4)25)8-7-23-20(26)16-5-6-17(21)18(22)11-16/h5-6,9-11H,7-8H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide?
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide has a molecular weight of 360.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113058813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).