N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide

C19H20F2N2O4 — CID 108949762

IUPACN'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-26-16-6-3-12(9-17(16)27-2)7-8-22-18(24)11-19(25)23-15-5-4-13(20)10-14(15)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMREKFYSXVLWBMD-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.67
Rot. Bonds8

About N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide

N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide (PubChem CID 108949762) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
PubChem CID108949762
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
SMILESCOc1ccc(CCNC(=O)CC(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C19H20F2N2O4/c1-26-16-6-3-12(9-17(16)27-2)7-8-22-18(24)11-19(25)23-15-5-4-13(20)10-14(15)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMREKFYSXVLWBMD-UHFFFAOYSA-N
XLogP2.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N-(2,4-difluorophenyl)-2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]acetamide
CID 126204503
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3,4-trifluoroanilino)propanamide
CID 109027802

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide (CID 108949762) is N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide is COc1ccc(CCNC(=O)CC(=O)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide?
The InChIKey is MREKFYSXVLWBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-26-16-6-3-12(9-17(16)27-2)7-8-22-18(24)11-19(25)23-15-5-4-13(20)10-14(15)21/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide?
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide has a molecular weight of 378.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide is sourced from PubChem (CID 108949762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).