2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide

C14H7ClF3N3O — CID 47084141

IUPAC2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2cccc(F)c12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H7ClF3N3O/c15-7-5-10(18)9(17)4-6(7)14(22)19-13-12-8(16)2-1-3-11(12)20-21-13/h1-5H,(H2,19,20,21,22)
InChIKeyOZINNJGMYQNRLQ-UHFFFAOYSA-N
MW325.68 g/mol
LogP3.89
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide

2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide (PubChem CID 47084141) has the molecular formula C14H7ClF3N3O and a molecular weight of 325.68 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide
PubChem CID47084141
Molecular FormulaC14H7ClF3N3O
Molecular Weight325.68 g/mol
Exact Mass325.02
IUPAC Name2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1n[nH]c2cccc(F)c12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H7ClF3N3O/c15-7-5-10(18)9(17)4-6(7)14(22)19-13-12-8(16)2-1-3-11(12)20-21-13/h1-5H,(H2,19,20,21,22)
InChIKeyOZINNJGMYQNRLQ-UHFFFAOYSA-N
XLogP3.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide (CID 47084141) is 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide is O=C(Nc1n[nH]c2cccc(F)c12)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide?
The InChIKey is OZINNJGMYQNRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O/c15-7-5-10(18)9(17)4-6(7)14(22)19-13-12-8(16)2-1-3-11(12)20-21-13/h1-5H,(H2,19,20,21,22).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide?
2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide has a molecular weight of 325.68 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-fluoro-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 47084141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).