N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide

C16H13ClF2N2O4 — CID 108532288

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2cc(F)ccc2F)c(OC)cc1Cl
InChIInChI=1S/C16H13ClF2N2O4/c1-24-13-7-12(14(25-2)6-9(13)17)21-16(23)15(22)20-11-5-8(18)3-4-10(11)19/h3-7H,1-2H3,(H,20,22)(H,21,23)
InChIKeyJKOPDGSXABVYOG-UHFFFAOYSA-N
MW370.74 g/mol
LogP3.21
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide (PubChem CID 108532288) has the molecular formula C16H13ClF2N2O4 and a molecular weight of 370.74 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
PubChem CID108532288
Molecular FormulaC16H13ClF2N2O4
Molecular Weight370.74 g/mol
Exact Mass370.05
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2cc(F)ccc2F)c(OC)cc1Cl
InChIInChI=1S/C16H13ClF2N2O4/c1-24-13-7-12(14(25-2)6-9(13)17)21-16(23)15(22)20-11-5-8(18)3-4-10(11)19/h3-7H,1-2H3,(H,20,22)(H,21,23)
InChIKeyJKOPDGSXABVYOG-UHFFFAOYSA-N
XLogP3.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.74
LogP ≤ 53.21
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-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17422602
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514378
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208188
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide (CID 108532288) is N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide is COc1cc(NC(=O)C(=O)Nc2cc(F)ccc2F)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide?
The InChIKey is JKOPDGSXABVYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O4/c1-24-13-7-12(14(25-2)6-9(13)17)21-16(23)15(22)20-11-5-8(18)3-4-10(11)19/h3-7H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide has a molecular weight of 370.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide is sourced from PubChem (CID 108532288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).