2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C23H24ClF3N4O — CID 59186825

IUPAC2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccc2[nH]nc(NCC3CCC(NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)c2c1
InChIInChI=1S/C23H24ClF3N4O/c1-13-2-9-20-18(10-13)21(31-30-20)28-12-14-3-6-16(7-4-14)29-22(32)17-11-15(23(25,26)27)5-8-19(17)24/h2,5,8-11,14,16H,3-4,6-7,12H2,1H3,(H,29,32)(H2,28,30,31)
InChIKeyLHBBKPIBHZPIDO-UHFFFAOYSA-N
MW464.92 g/mol
LogP5.94
Rot. Bonds5

About 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 59186825) has the molecular formula C23H24ClF3N4O and a molecular weight of 464.92 g/mol. Its IUPAC name is 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID59186825
Molecular FormulaC23H24ClF3N4O
Molecular Weight464.92 g/mol
Exact Mass464.16
IUPAC Name2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccc2[nH]nc(NCC3CCC(NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)c2c1
InChIInChI=1S/C23H24ClF3N4O/c1-13-2-9-20-18(10-13)21(31-30-20)28-12-14-3-6-16(7-4-14)29-22(32)17-11-15(23(25,26)27)5-8-19(17)24/h2,5,8-11,14,16H,3-4,6-7,12H2,1H3,(H,29,32)(H2,28,30,31)
InChIKeyLHBBKPIBHZPIDO-UHFFFAOYSA-N
XLogP5.94
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.92
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 59186825) is 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is Cc1ccc2[nH]nc(NCC3CCC(NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)c2c1.
What is the InChIKey of 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is LHBBKPIBHZPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O/c1-13-2-9-20-18(10-13)21(31-30-20)28-12-14-3-6-16(7-4-14)29-22(32)17-11-15(23(25,26)27)5-8-19(17)24/h2,5,8-11,14,16H,3-4,6-7,12H2,1H3,(H,29,32)(H2,28,30,31).
What are the key properties of 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 464.92 g/mol, XLogP of 5.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59186825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).