N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide

C18H19FN2O3 — CID 108948446

IUPACN-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-24-16-8-6-15(7-9-16)21-18(23)12-17(22)20-11-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyGNNUEMPGCOXUMW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide

N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide (PubChem CID 108948446) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
PubChem CID108948446
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-24-16-8-6-15(7-9-16)21-18(23)12-17(22)20-11-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyGNNUEMPGCOXUMW-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.52
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-methoxyphenyl)ethyl]-N'-phenylpropanediamide
CID 108948790
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
ethyl 4-[[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948861
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
ethyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948485
N'-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948414
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)pentanamide
CID 110297832
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16899152
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide (CID 108948446) is N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide?
The InChIKey is GNNUEMPGCOXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-16-8-6-15(7-9-16)21-18(23)12-17(22)20-11-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide?
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide has a molecular weight of 330.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide is sourced from PubChem (CID 108948446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).