3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide

C20H22F2N2O3 — CID 113121318

IUPAC3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1ccc(F)cc1F)C(C)=O
InChIInChI=1S/C20H22F2N2O3/c1-14(25)24(11-9-15-5-3-4-6-19(15)27-2)12-10-20(26)23-18-8-7-16(21)13-17(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,26)
InChIKeyVUFKOEAOZRPYFH-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.39
Rot. Bonds8

About 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide

3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide (PubChem CID 113121318) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
PubChem CID113121318
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide
SMILESCOc1ccccc1CCN(CCC(=O)Nc1ccc(F)cc1F)C(C)=O
InChIInChI=1S/C20H22F2N2O3/c1-14(25)24(11-9-15-5-3-4-6-19(15)27-2)12-10-20(26)23-18-8-7-16(21)13-17(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,26)
InChIKeyVUFKOEAOZRPYFH-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide 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

3-[acetyl(2-phenylethyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113120880
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119215
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719
3-[acetyl(pentyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113123156
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113121305
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide (CID 113121318) is 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide is COc1ccccc1CCN(CCC(=O)Nc1ccc(F)cc1F)C(C)=O.
What is the InChIKey of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is VUFKOEAOZRPYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-14(25)24(11-9-15-5-3-4-6-19(15)27-2)12-10-20(26)23-18-8-7-16(21)13-17(18)22/h3-8,13H,9-12H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide?
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 376.40 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 113121318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).