N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide

C14H8ClF2N3O4 — CID 108513618

IUPACN-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
SMILESO=C(Nc1cc(F)ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H8ClF2N3O4/c15-9-3-2-8(20(23)24)6-11(9)18-13(21)14(22)19-12-5-7(16)1-4-10(12)17/h1-6H,(H,18,21)(H,19,22)
InChIKeySTXCVTDZHTVVHC-UHFFFAOYSA-N
MW355.68 g/mol
LogP3.10
Rot. Bonds3

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

N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide (PubChem CID 108513618) has the molecular formula C14H8ClF2N3O4 and a molecular weight of 355.68 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
PubChem CID108513618
Molecular FormulaC14H8ClF2N3O4
Molecular Weight355.68 g/mol
Exact Mass355.02
IUPAC NameN-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
SMILESO=C(Nc1cc(F)ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H8ClF2N3O4/c15-9-3-2-8(20(23)24)6-11(9)18-13(21)14(22)19-12-5-7(16)1-4-10(12)17/h1-6H,(H,18,21)(H,19,22)
InChIKeySTXCVTDZHTVVHC-UHFFFAOYSA-N
XLogP3.10
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.68
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2630963
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(2-chloro-5-nitrophenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108513541
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-chloro-4-nitrobenzoate
CID 2616418

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide (CID 108513618) is N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide is O=C(Nc1cc(F)ccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide?
The InChIKey is STXCVTDZHTVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O4/c15-9-3-2-8(20(23)24)6-11(9)18-13(21)14(22)19-12-5-7(16)1-4-10(12)17/h1-6H,(H,18,21)(H,19,22).
What are the key properties of N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide?
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide has a molecular weight of 355.68 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide is sourced from PubChem (CID 108513618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).