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

C17H17FN2O3 — CID 44996870

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-5-3-2-4-13(15)11-20-17(22)16(21)19-10-12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWLBWUHFXXSSDPP-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.77
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 44996870) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
PubChem CID44996870
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-15-5-3-2-4-13(15)11-20-17(22)16(21)19-10-12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWLBWUHFXXSSDPP-UHFFFAOYSA-N
XLogP1.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
(4-fluorophenyl)methyl-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9251927
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide (CID 44996870) is N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is WLBWUHFXXSSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-15-5-3-2-4-13(15)11-20-17(22)16(21)19-10-12-6-8-14(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 316.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 44996870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).