N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide

C15H10ClFN4O2 — CID 46199605

IUPACN-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C15H10ClFN4O2/c16-10-5-4-8(6-11(10)17)19-14(22)15(23)20-12-2-1-3-13-9(12)7-18-21-13/h1-7H,(H,18,21)(H,19,22)(H,20,23)
InChIKeyGQTRNTXGAITGAG-UHFFFAOYSA-N
MW332.72 g/mol
LogP2.93
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide

N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide (PubChem CID 46199605) has the molecular formula C15H10ClFN4O2 and a molecular weight of 332.72 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide
PubChem CID46199605
Molecular FormulaC15H10ClFN4O2
Molecular Weight332.72 g/mol
Exact Mass332.05
IUPAC NameN-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C15H10ClFN4O2/c16-10-5-4-8(6-11(10)17)19-14(22)15(23)20-12-2-1-3-13-9(12)7-18-21-13/h1-7H,(H,18,21)(H,19,22)(H,20,23)
InChIKeyGQTRNTXGAITGAG-UHFFFAOYSA-N
XLogP2.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.72
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide (CID 46199605) is N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide is O=C(Nc1ccc(Cl)c(F)c1)C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide?
The InChIKey is GQTRNTXGAITGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O2/c16-10-5-4-8(6-11(10)17)19-14(22)15(23)20-12-2-1-3-13-9(12)7-18-21-13/h1-7H,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide?
N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide has a molecular weight of 332.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-N'-(1H-indazol-4-yl)oxamide is sourced from PubChem (CID 46199605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).