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

C20H22F2N2O3 — CID 113121447

IUPAC3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
SMILESCOc1cccc(CCN(CCC(=O)Nc2ccc(F)c(F)c2)C(C)=O)c1
InChIInChI=1S/C20H22F2N2O3/c1-14(25)24(10-8-15-4-3-5-17(12-15)27-2)11-9-20(26)23-16-6-7-18(21)19(22)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)
InChIKeyFUHJUMNMXRYGKW-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.39
Rot. Bonds8

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

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide (PubChem CID 113121447) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
PubChem CID113121447
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
SMILESCOc1cccc(CCN(CCC(=O)Nc2ccc(F)c(F)c2)C(C)=O)c1
InChIInChI=1S/C20H22F2N2O3/c1-14(25)24(10-8-15-4-3-5-17(12-15)27-2)11-9-20(26)23-16-6-7-18(21)19(22)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,23,26)
InChIKeyFUHJUMNMXRYGKW-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

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Related Compounds

3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113121357
methyl 2-[3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]propanoylamino]benzoate
CID 113121431
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(3-methylphenyl)methyl]propanamide
CID 113121353
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113055919
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide (CID 113121447) is 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide is COc1cccc(CCN(CCC(=O)Nc2ccc(F)c(F)c2)C(C)=O)c1.
What is the InChIKey of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is FUHJUMNMXRYGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-14(25)24(10-8-15-4-3-5-17(12-15)27-2)11-9-20(26)23-16-6-7-18(21)19(22)13-16/h3-7,12-13H,8-11H2,1-2H3,(H,23,26).
What are the key properties of 3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide?
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-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-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 113121447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).