N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide

C19H21FN2O4 — CID 108946228

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-25-16-8-7-13(9-17(16)26-2)11-21-18(23)10-19(24)22-12-14-5-3-4-6-15(14)20/h3-9H,10-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDZUFNMLQMNYGBN-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.17
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide

N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide (PubChem CID 108946228) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
PubChem CID108946228
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)NCc2ccccc2F)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-25-16-8-7-13(9-17(16)26-2)11-21-18(23)10-19(24)22-12-14-5-3-4-6-15(14)20/h3-9H,10-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDZUFNMLQMNYGBN-UHFFFAOYSA-N
XLogP2.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.17
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

2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997641
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2399525
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 109020704
N'-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985181
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949921
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 4083010
N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-phenylpropyl)propanediamide
CID 108949889

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide (CID 108946228) is N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide is COc1ccc(CNC(=O)CC(=O)NCc2ccccc2F)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
The InChIKey is DZUFNMLQMNYGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-16-8-7-13(9-17(16)26-2)11-21-18(23)10-19(24)22-12-14-5-3-4-6-15(14)20/h3-9H,10-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide?
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide has a molecular weight of 360.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide is sourced from PubChem (CID 108946228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).