N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide

C18H19FN2O4 — CID 108984925

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H19FN2O4/c1-24-15-8-5-13(9-16(15)25-2)11-21-18(23)17(22)20-10-12-3-6-14(19)7-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDTJRMXXBOAZMFO-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.78
Rot. Bonds6

About N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide

N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 108984925) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID108984925
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H19FN2O4/c1-24-15-8-5-13(9-16(15)25-2)11-21-18(23)17(22)20-10-12-3-6-14(19)7-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDTJRMXXBOAZMFO-UHFFFAOYSA-N
XLogP1.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 9082502
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86995659
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
N-[(3,4-dimethoxyphenyl)methyl]-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965127
N'-[(3,4-dimethoxyphenyl)methyl]-N-[2-(2-fluorophenyl)ethyl]oxamide
CID 108985181
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
2-[(3,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]guanidine
CID 111025731
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide (CID 108984925) is N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCc2ccc(F)cc2)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is DTJRMXXBOAZMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-15-8-5-13(9-16(15)25-2)11-21-18(23)17(22)20-10-12-3-6-14(19)7-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide?
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 346.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108984925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).