2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide

C22H21ClF3N3O — CID 58317316

IUPAC2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Cn2cc3ccccc3n2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H21ClF3N3O/c23-19-10-7-16(22(24,25)26)11-18(19)21(30)27-17-8-5-14(6-9-17)12-29-13-15-3-1-2-4-20(15)28-29/h1-4,7,10-11,13-14,17H,5-6,8-9,12H2,(H,27,30)
InChIKeyMRJIBAUHZLMPHO-UHFFFAOYSA-N
MW435.88 g/mol
LogP5.70
Rot. Bonds4

About 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 58317316) has the molecular formula C22H21ClF3N3O and a molecular weight of 435.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID58317316
Molecular FormulaC22H21ClF3N3O
Molecular Weight435.88 g/mol
Exact Mass435.13
IUPAC Name2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(Cn2cc3ccccc3n2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H21ClF3N3O/c23-19-10-7-16(22(24,25)26)11-18(19)21(30)27-17-8-5-14(6-9-17)12-29-13-15-3-1-2-4-20(15)28-29/h1-4,7,10-11,13-14,17H,5-6,8-9,12H2,(H,27,30)
InChIKeyMRJIBAUHZLMPHO-UHFFFAOYSA-N
XLogP5.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.88
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[4-(indazol-2-ylmethyl)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

Related Compounds

N-(3-chloro-4-fluorophenyl)-1-methylindazole-5-carboxamide
CID 77844718
2,6-dichloro-N-ethyl-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
CID 24937936
2-Chloro-N-ethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45269354
5H-1-benzazepin-5-ylidene acetamide, 1d
CID 44520854
5H-1-benzazepin-5-ylidene acetamide, 10h
CID 44520878
2,6-dichloro-N-ethyl-N-[(2R)-3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide
CID 53321912
4-chloro-2-(4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226379
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CID 58138781
1-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138845
1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138911
N-(3-chloro-4-fluorophenyl)-2-methylindazole-5-carboxamide
CID 77844719
N-(3,4-difluorophenyl)-2-methylindazole-5-carboxamide
CID 77844721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide (CID 58317316) is 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide is O=C(NC1CCC(Cn2cc3ccccc3n2)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is MRJIBAUHZLMPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N3O/c23-19-10-7-16(22(24,25)26)11-18(19)21(30)27-17-8-5-14(6-9-17)12-29-13-15-3-1-2-4-20(15)28-29/h1-4,7,10-11,13-14,17H,5-6,8-9,12H2,(H,27,30).
What are the key properties of 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 435.88 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(indazol-2-ylmethyl)cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 58317316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).