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

C17H17FN2O3 — CID 108946916

IUPACN'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-5-3-2-4-12(15)11-19-16(21)10-17(22)20-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySIBSXWDZKRALOC-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.48
Rot. Bonds6

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

N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (PubChem CID 108946916) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
PubChem CID108946916
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-5-3-2-4-12(15)11-19-16(21)10-17(22)20-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeySIBSXWDZKRALOC-UHFFFAOYSA-N
XLogP2.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.48
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

2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
N'-(3-bromophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946963
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide (CID 108946916) is N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is COc1ccccc1CNC(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
The InChIKey is SIBSXWDZKRALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-15-5-3-2-4-12(15)11-19-16(21)10-17(22)20-14-8-6-13(18)7-9-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide?
N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide has a molecular weight of 316.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108946916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).