N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide

C17H16F2N2O3 — CID 108955812

IUPACN-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-3-6-15(24-2)14(7-10)21-17(23)9-16(22)20-13-5-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRWURSENFIKUTKH-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.25
Rot. Bonds5

About N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide

N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide (PubChem CID 108955812) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
PubChem CID108955812
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
SMILESCOc1ccc(C)cc1NC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O3/c1-10-3-6-15(24-2)14(7-10)21-17(23)9-16(22)20-13-5-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRWURSENFIKUTKH-UHFFFAOYSA-N
XLogP3.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
2-(4-fluoro-2-methylanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26528432
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
The IUPAC name of N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide (CID 108955812) is N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide is COc1ccc(C)cc1NC(=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
The InChIKey is RWURSENFIKUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10-3-6-15(24-2)14(7-10)21-17(23)9-16(22)20-13-5-4-11(18)8-12(13)19/h3-8H,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide?
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide has a molecular weight of 334.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide is sourced from PubChem (CID 108955812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).