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

C22H21ClF4N4O — CID 59186860

IUPAC2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNc2n[nH]c3ccc(F)cc23)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H21ClF4N4O/c23-18-7-3-13(22(25,26)27)9-16(18)21(32)29-15-5-1-12(2-6-15)11-28-20-17-10-14(24)4-8-19(17)30-31-20/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,29,32)(H2,28,30,31)
InChIKeyOUYWOAHXNDCZMF-UHFFFAOYSA-N
MW468.88 g/mol
LogP5.77
Rot. Bonds5

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

2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 59186860) has the molecular formula C22H21ClF4N4O and a molecular weight of 468.88 g/mol. Its IUPAC name is 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID59186860
Molecular FormulaC22H21ClF4N4O
Molecular Weight468.88 g/mol
Exact Mass468.13
IUPAC Name2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNc2n[nH]c3ccc(F)cc23)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H21ClF4N4O/c23-18-7-3-13(22(25,26)27)9-16(18)21(32)29-15-5-1-12(2-6-15)11-28-20-17-10-14(24)4-8-19(17)30-31-20/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,29,32)(H2,28,30,31)
InChIKeyOUYWOAHXNDCZMF-UHFFFAOYSA-N
XLogP5.77
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.88
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)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-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 59186860) is 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is O=C(NC1CCC(CNc2n[nH]c3ccc(F)cc23)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is OUYWOAHXNDCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF4N4O/c23-18-7-3-13(22(25,26)27)9-16(18)21(32)29-15-5-1-12(2-6-15)11-28-20-17-10-14(24)4-8-19(17)30-31-20/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,29,32)(H2,28,30,31).
What are the key properties of 2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[(5-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 468.88 g/mol, XLogP of 5.77, 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-fluoro-1H-indazol-3-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59186860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).