N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide

C14H9ClFN3O4 — CID 108513456

IUPACN'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
SMILESO=C(Nc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H9ClFN3O4/c15-9-6-5-8(19(22)23)7-12(9)18-14(21)13(20)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,20)(H,18,21)
InChIKeyMSWDZZACCRSLOX-UHFFFAOYSA-N
MW337.69 g/mol
LogP2.96
Rot. Bonds3

About N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide

N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide (PubChem CID 108513456) has the molecular formula C14H9ClFN3O4 and a molecular weight of 337.69 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
PubChem CID108513456
Molecular FormulaC14H9ClFN3O4
Molecular Weight337.69 g/mol
Exact Mass337.03
IUPAC NameN'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
SMILESO=C(Nc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C14H9ClFN3O4/c15-9-6-5-8(19(22)23)7-12(9)18-14(21)13(20)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,20)(H,18,21)
InChIKeyMSWDZZACCRSLOX-UHFFFAOYSA-N
XLogP2.96
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 52.96
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'-(2,5-difluorophenyl)oxamide
CID 108513618
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
N'-(2-chlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500250
N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108513496
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
[(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 2511466
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-5-nitrophenyl)oxamide
CID 108513563

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide?
The IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide (CID 108513456) is N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide is O=C(Nc1ccccc1F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide?
The InChIKey is MSWDZZACCRSLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O4/c15-9-6-5-8(19(22)23)7-12(9)18-14(21)13(20)17-11-4-2-1-3-10(11)16/h1-7H,(H,17,20)(H,18,21).
What are the key properties of N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide?
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide has a molecular weight of 337.69 g/mol, XLogP of 2.96, 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-fluorophenyl)oxamide is sourced from PubChem (CID 108513456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).