2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide

C19H20F2N2O4 — CID 113165654

IUPAC2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2c(F)cccc2F)C(C)=O)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-12(24)23(10-13-7-8-16(26-2)17(9-13)27-3)11-18(25)22-19-14(20)5-4-6-15(19)21/h4-9H,10-11H2,1-3H3,(H,22,25)
InChIKeyCXPAVOFILIYPFK-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.97
Rot. Bonds7

About 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide

2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide (PubChem CID 113165654) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide
PubChem CID113165654
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2c(F)cccc2F)C(C)=O)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-12(24)23(10-13-7-8-16(26-2)17(9-13)27-3)11-18(25)22-19-14(20)5-4-6-15(19)21/h4-9H,10-11H2,1-3H3,(H,22,25)
InChIKeyCXPAVOFILIYPFK-UHFFFAOYSA-N
XLogP2.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113165639
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113163149
N-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027882
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113002282
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 113165592
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113122095
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,6-difluorophenyl)acetamide
CID 113160577
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
2-[acetyl(3-phenylpropyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 113165936
2-(N-acetyl-2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181503
[2-(2,6-difluoroanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592169
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide (CID 113165654) is 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide is COc1ccc(CN(CC(=O)Nc2c(F)cccc2F)C(C)=O)cc1OC.
What is the InChIKey of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide?
The InChIKey is CXPAVOFILIYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-12(24)23(10-13-7-8-16(26-2)17(9-13)27-3)11-18(25)22-19-14(20)5-4-6-15(19)21/h4-9H,10-11H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide?
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide has a molecular weight of 378.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 113165654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).