N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide

C15H10ClN5O4 — CID 108513544

IUPACN'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H10ClN5O4/c16-11-4-3-10(21(24)25)6-13(11)19-15(23)14(22)18-9-2-1-8-7-17-20-12(8)5-9/h1-7H,(H,17,20)(H,18,22)(H,19,23)
InChIKeyUSDVLTDJIYEWRU-UHFFFAOYSA-N
MW359.73 g/mol
LogP2.70
Rot. Bonds3

About N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide

N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide (PubChem CID 108513544) has the molecular formula C15H10ClN5O4 and a molecular weight of 359.73 g/mol. Its IUPAC name is N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide
PubChem CID108513544
Molecular FormulaC15H10ClN5O4
Molecular Weight359.73 g/mol
Exact Mass359.04
IUPAC NameN'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H10ClN5O4/c16-11-4-3-10(21(24)25)6-13(11)19-15(23)14(22)18-9-2-1-8-7-17-20-12(8)5-9/h1-7H,(H,17,20)(H,18,22)(H,19,23)
InChIKeyUSDVLTDJIYEWRU-UHFFFAOYSA-N
XLogP2.70
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108513541
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
N'-(2-chloro-5-nitrophenyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508659
N-(4-nitrophenyl)-1H-indazole-6-carboxamide
CID 62905610
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108530119
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxyphenyl)oxamide
CID 108513447
N-(2-chloro-5-nitrophenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108513618
N'-(2-chloro-5-nitrophenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108513496
N-(4-butylphenyl)-N'-(2-chloro-5-nitrophenyl)oxamide
CID 108502372
N'-(2-chloro-5-nitrophenyl)-N-(2-fluorophenyl)oxamide
CID 108513456

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide?
The IUPAC name of N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide (CID 108513544) is N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide.
What is the SMILES notation for N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide?
The canonical SMILES for N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide is O=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide?
The InChIKey is USDVLTDJIYEWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O4/c16-11-4-3-10(21(24)25)6-13(11)19-15(23)14(22)18-9-2-1-8-7-17-20-12(8)5-9/h1-7H,(H,17,20)(H,18,22)(H,19,23).
What are the key properties of N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide?
N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide has a molecular weight of 359.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-nitrophenyl)-N-(1H-indazol-6-yl)oxamide is sourced from PubChem (CID 108513544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).