N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide

C19H20F2N2O2 — CID 108954543

IUPACN'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O2/c1-3-12-6-5-7-13(4-2)19(12)23-18(25)11-17(24)22-16-9-8-14(20)10-15(16)21/h5-10H,3-4,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRLJOCCYLSSUFFC-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.06
Rot. Bonds6

About N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide

N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide (PubChem CID 108954543) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
PubChem CID108954543
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O2/c1-3-12-6-5-7-13(4-2)19(12)23-18(25)11-17(24)22-16-9-8-14(20)10-15(16)21/h5-10H,3-4,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRLJOCCYLSSUFFC-UHFFFAOYSA-N
XLogP4.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004326
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847
N'-(2-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255
2-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)acetamide
CID 113179024
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
3-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)propanamide
CID 113133486

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide (CID 108954543) is N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide is CCc1cccc(CC)c1NC(=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide?
The InChIKey is RLJOCCYLSSUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-3-12-6-5-7-13(4-2)19(12)23-18(25)11-17(24)22-16-9-8-14(20)10-15(16)21/h5-10H,3-4,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide?
N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide has a molecular weight of 346.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-(2,4-difluorophenyl)propanediamide is sourced from PubChem (CID 108954543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).