N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide

C18H18F2N2O3 — CID 113064615

IUPACN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O3/c1-12(23)22(13-7-8-15(19)16(20)11-13)10-9-21-18(24)14-5-3-4-6-17(14)25-2/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyWHPJMDOOHCYFEM-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide (PubChem CID 113064615) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
PubChem CID113064615
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O3/c1-12(23)22(13-7-8-15(19)16(20)11-13)10-9-21-18(24)14-5-3-4-6-17(14)25-2/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyWHPJMDOOHCYFEM-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide 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-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113064642
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
CID 113064327
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-(N-acetyl-4-bromo-3-methylanilino)ethyl]-2-fluorobenzamide
CID 113062914

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide (CID 113064615) is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide?
The InChIKey is WHPJMDOOHCYFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12(23)22(13-7-8-15(19)16(20)11-13)10-9-21-18(24)14-5-3-4-6-17(14)25-2/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide?
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide has a molecular weight of 348.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113064615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).