N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide

C18H18F2N2O5 — CID 90613602

IUPACN'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
SMILESCOc1ccc(C(O)CNC(=O)C(=O)Nc2cc(F)ccc2F)cc1OC
InChIInChI=1S/C18H18F2N2O5/c1-26-15-6-3-10(7-16(15)27-2)14(23)9-21-17(24)18(25)22-13-8-11(19)4-5-12(13)20/h3-8,14,23H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJFCGEYXAWGSDJN-UHFFFAOYSA-N
MW380.35 g/mol
LogP1.77
Rot. Bonds6

About N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide

N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide (PubChem CID 90613602) has the molecular formula C18H18F2N2O5 and a molecular weight of 380.35 g/mol. Its IUPAC name is N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
PubChem CID90613602
Molecular FormulaC18H18F2N2O5
Molecular Weight380.35 g/mol
Exact Mass380.12
IUPAC NameN'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
SMILESCOc1ccc(C(O)CNC(=O)C(=O)Nc2cc(F)ccc2F)cc1OC
InChIInChI=1S/C18H18F2N2O5/c1-26-15-6-3-10(7-16(15)27-2)14(23)9-21-17(24)18(25)22-13-8-11(19)4-5-12(13)20/h3-8,14,23H,9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJFCGEYXAWGSDJN-UHFFFAOYSA-N
XLogP1.77
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90613591
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590
N'-(4-acetamidophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 90613622
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(3-methoxyphenyl)oxamide
CID 90613593
N'-tert-butyl-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide
CID 72717745
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 90613607
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99903169
N'-(2,5-difluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500143
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide (CID 90613602) is N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide is COc1ccc(C(O)CNC(=O)C(=O)Nc2cc(F)ccc2F)cc1OC.
What is the InChIKey of N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
The InChIKey is JFCGEYXAWGSDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O5/c1-26-15-6-3-10(7-16(15)27-2)14(23)9-21-17(24)18(25)22-13-8-11(19)4-5-12(13)20/h3-8,14,23H,9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide?
N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide has a molecular weight of 380.35 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 90613602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).