N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide

C18H19FN2O4 — CID 75416455

IUPACN'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide
SMILESCOc1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C18H19FN2O4/c1-21(11-12-7-8-15(24-2)10-16(12)25-3)18(23)17(22)20-14-6-4-5-13(19)9-14/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyLVLFQQVTKSLGJI-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.44
Rot. Bonds5

About N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide

N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide (PubChem CID 75416455) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide
PubChem CID75416455
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide
SMILESCOc1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C18H19FN2O4/c1-21(11-12-7-8-15(24-2)10-16(12)25-3)18(23)17(22)20-14-6-4-5-13(19)9-14/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyLVLFQQVTKSLGJI-UHFFFAOYSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
1-[(2,4-dimethoxyphenyl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]-1-methylurea
CID 55819420
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
1-[(2,4-dimethoxyphenyl)methyl]-3-[(3-fluorophenyl)methyl]-1,2-dimethylguanidine
CID 111296873
N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-2-iodo-N-methylbenzamide
CID 39707721
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18111776
2-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 55328911
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-fluorophenyl)ethyl]-1,2-dimethylguanidine
CID 111297477
2-[[N-[(2,4-dimethoxyphenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-(4-fluorophenyl)acetamide
CID 111297383

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide?
The IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide (CID 75416455) is N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide.
What is the SMILES notation for N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide?
The canonical SMILES for N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide is COc1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)c2)c(OC)c1.
What is the InChIKey of N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide?
The InChIKey is LVLFQQVTKSLGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-21(11-12-7-8-15(24-2)10-16(12)25-3)18(23)17(22)20-14-6-4-5-13(19)9-14/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide?
N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide has a molecular weight of 346.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxyphenyl)methyl]-N-(3-fluorophenyl)-N'-methyloxamide is sourced from PubChem (CID 75416455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).