2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

C20H16ClF2N3O — CID 45215664

IUPAC2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1c(F)cccc1Cl
InChIInChI=1S/C20H16ClF2N3O/c21-13-5-3-7-15(23)19(13)20(27)25-16-8-4-10-17-12(16)11-24-26(17)18-9-2-1-6-14(18)22/h1-3,5-7,9,11,16H,4,8,10H2,(H,25,27)
InChIKeyKRKPCQYZSGVBEH-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.61
Rot. Bonds3

About 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (PubChem CID 45215664) has the molecular formula C20H16ClF2N3O and a molecular weight of 387.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
PubChem CID45215664
Molecular FormulaC20H16ClF2N3O
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1c(F)cccc1Cl
InChIInChI=1S/C20H16ClF2N3O/c21-13-5-3-7-15(23)19(13)20(27)25-16-8-4-10-17-12(16)11-24-26(17)18-9-2-1-6-14(18)22/h1-3,5-7,9,11,16H,4,8,10H2,(H,25,27)
InChIKeyKRKPCQYZSGVBEH-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide (CID 45215664) is 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is O=C(NC1CCCc2c1cnn2-c1ccccc1F)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
The InChIKey is KRKPCQYZSGVBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O/c21-13-5-3-7-15(23)19(13)20(27)25-16-8-4-10-17-12(16)11-24-26(17)18-9-2-1-6-14(18)22/h1-3,5-7,9,11,16H,4,8,10H2,(H,25,27).
What are the key properties of 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide?
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide has a molecular weight of 387.82 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide is sourced from PubChem (CID 45215664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).