N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide

C20H11ClF3N3O — CID 69064019

IUPACN-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc(F)c(Cl)c3)ccc12)c1ccc(F)cc1F
InChIInChI=1S/C20H11ClF3N3O/c21-15-7-10(2-6-16(15)23)11-1-4-14-18(8-11)26-27-19(14)25-20(28)13-5-3-12(22)9-17(13)24/h1-9H,(H2,25,26,27,28)
InChIKeyXEYGHTXZPZGTLP-UHFFFAOYSA-N
MW401.78 g/mol
LogP5.55
Rot. Bonds3

About N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide

N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide (PubChem CID 69064019) has the molecular formula C20H11ClF3N3O and a molecular weight of 401.78 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
PubChem CID69064019
Molecular FormulaC20H11ClF3N3O
Molecular Weight401.78 g/mol
Exact Mass401.05
IUPAC NameN-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc(F)c(Cl)c3)ccc12)c1ccc(F)cc1F
InChIInChI=1S/C20H11ClF3N3O/c21-15-7-10(2-6-16(15)23)11-1-4-14-18(8-11)26-27-19(14)25-20(28)13-5-3-12(22)9-17(13)24/h1-9H,(H2,25,26,27,28)
InChIKeyXEYGHTXZPZGTLP-UHFFFAOYSA-N
XLogP5.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.78
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[6-(4-propan-2-ylphenyl)-1H-indazol-3-yl]benzamide
CID 69062836
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405
2,3,4,5-tetrafluoro-N-[6-(4-methylphenyl)-1H-indazol-3-yl]benzamide
CID 87678347
2,4-dichloro-N-[6-(3-ethoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69061802
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
CID 69065883
2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69067364
2,6-difluoro-N-[6-(3-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69063668

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide (CID 69064019) is N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide is O=C(Nc1n[nH]c2cc(-c3ccc(F)c(Cl)c3)ccc12)c1ccc(F)cc1F.
What is the InChIKey of N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
The InChIKey is XEYGHTXZPZGTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF3N3O/c21-15-7-10(2-6-16(15)23)11-1-4-14-18(8-11)26-27-19(14)25-20(28)13-5-3-12(22)9-17(13)24/h1-9H,(H2,25,26,27,28).
What are the key properties of N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide?
N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide has a molecular weight of 401.78 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 69064019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).