2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide

C23H24ClF3N4O — CID 87320527

IUPAC2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide
SMILESCc1ccc2[nH]nc(NCC3CCC(NC(=O)c4c(F)c(C)c(F)c(F)c4Cl)CC3)c2c1
InChIInChI=1S/C23H24ClF3N4O/c1-11-3-8-16-15(9-11)22(31-30-16)28-10-13-4-6-14(7-5-13)29-23(32)17-18(24)21(27)20(26)12(2)19(17)25/h3,8-9,13-14H,4-7,10H2,1-2H3,(H,29,32)(H2,28,30,31)
InChIKeyTYSLEPDMHKRBIU-UHFFFAOYSA-N
MW464.92 g/mol
LogP5.65
Rot. Bonds5

About 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide

2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide (PubChem CID 87320527) has the molecular formula C23H24ClF3N4O and a molecular weight of 464.92 g/mol. Its IUPAC name is 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide
PubChem CID87320527
Molecular FormulaC23H24ClF3N4O
Molecular Weight464.92 g/mol
Exact Mass464.16
IUPAC Name2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide
SMILESCc1ccc2[nH]nc(NCC3CCC(NC(=O)c4c(F)c(C)c(F)c(F)c4Cl)CC3)c2c1
InChIInChI=1S/C23H24ClF3N4O/c1-11-3-8-16-15(9-11)22(31-30-16)28-10-13-4-6-14(7-5-13)29-23(32)17-18(24)21(27)20(26)12(2)19(17)25/h3,8-9,13-14H,4-7,10H2,1-2H3,(H,29,32)(H2,28,30,31)
InChIKeyTYSLEPDMHKRBIU-UHFFFAOYSA-N
XLogP5.65
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 ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-[[(2,4-dimethyl-3-pyridinyl)amino]methyl]cyclohexyl]-3,4,6-trifluoro-5-methylbenzamide
CID 87301652
2-chloro-N-[4-[(3,4-dimethoxyanilino)methyl]cyclohexyl]-3,4,6-trifluoro-5-methylbenzamide
CID 87301534
2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(1-phenyltetrazol-5-yl)amino]methyl]cyclohexyl]benzamide
CID 87320521
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[(3-pyridin-4-ylpyrazol-1-yl)methyl]cyclohexyl]benzamide
CID 87370595
2-chloro-N-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclohexyl]-3,4,6-trifluoro-5-methylbenzamide
CID 87301429
2-chloro-5-methyl-N-[4-[[(5-methyl-3-pyridinyl)amino]methyl]cyclohexyl]benzamide
CID 143937089
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-indazole-3-carboxamide
CID 78868865
2,5-dichloro-N-[4-[[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]methyl]cyclohexyl]benzamide
CID 57465887
N,5-dimethyl-1H-indazol-3-amine
CID 18679264
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
2-chloro-N-[4-[[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]methyl]cyclohexyl]-5-methylbenzamide
CID 58317388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide?
The IUPAC name of 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide (CID 87320527) is 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide is Cc1ccc2[nH]nc(NCC3CCC(NC(=O)c4c(F)c(C)c(F)c(F)c4Cl)CC3)c2c1.
What is the InChIKey of 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide?
The InChIKey is TYSLEPDMHKRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O/c1-11-3-8-16-15(9-11)22(31-30-16)28-10-13-4-6-14(7-5-13)29-23(32)17-18(24)21(27)20(26)12(2)19(17)25/h3,8-9,13-14H,4-7,10H2,1-2H3,(H,29,32)(H2,28,30,31).
What are the key properties of 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide?
2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide has a molecular weight of 464.92 g/mol, XLogP of 5.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4,6-trifluoro-5-methyl-N-[4-[[(5-methyl-1H-indazol-3-yl)amino]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 87320527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).