N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide

C16H14F2N2O3 — CID 86856664

IUPACN'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C16H14F2N2O3/c1-23-11-5-2-4-10(8-11)9-19-15(21)16(22)20-13-7-3-6-12(17)14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZPLNEJVLMXXGKJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.23
Rot. Bonds4

About N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide

N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 86856664) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
PubChem CID86856664
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC NameN'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c1
InChIInChI=1S/C16H14F2N2O3/c1-23-11-5-2-4-10(8-11)9-19-15(21)16(22)20-13-7-3-6-12(17)14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZPLNEJVLMXXGKJ-UHFFFAOYSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.23
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

N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N'-(2,3-difluorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]oxamide
CID 86856678
N'-[2-(2-fluorophenyl)-2-methoxypropyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 90599359
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-(2,6-difluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985510
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
N-(2-fluorophenyl)-N'-[(2S)-1-(3-methoxyphenyl)propan-2-yl]oxamide
CID 96532473
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-(2-chloro-6-fluorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108896680
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide (CID 86856664) is N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(=O)Nc2cccc(F)c2F)c1.
What is the InChIKey of N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is ZPLNEJVLMXXGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-23-11-5-2-4-10(8-11)9-19-15(21)16(22)20-13-7-3-6-12(17)14(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide?
N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide has a molecular weight of 320.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 86856664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).