N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide

C24H21ClF3N3O2 — CID 175969241

IUPACN-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2c3cc(O)ccc3CC2C(=O)N(C)c2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C24H21ClF3N3O2/c1-13-8-17(5-7-19(13)25)30(3)23(33)21-10-15-4-6-18(32)12-20(15)31(21)22-11-16(24(26,27)28)9-14(2)29-22/h4-9,11-12,21,32H,10H2,1-3H3
InChIKeyODMVJOLFLUWRQS-UHFFFAOYSA-N
MW475.90 g/mol
LogP5.80
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide

N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 175969241) has the molecular formula C24H21ClF3N3O2 and a molecular weight of 475.90 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
PubChem CID175969241
Molecular FormulaC24H21ClF3N3O2
Molecular Weight475.90 g/mol
Exact Mass475.13
IUPAC NameN-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1cc(C(F)(F)F)cc(N2c3cc(O)ccc3CC2C(=O)N(C)c2ccc(Cl)c(C)c2)n1
InChIInChI=1S/C24H21ClF3N3O2/c1-13-8-17(5-7-19(13)25)30(3)23(33)21-10-15-4-6-18(32)12-20(15)31(21)22-11-16(24(26,27)28)9-14(2)29-22/h4-9,11-12,21,32H,10H2,1-3H3
InChIKeyODMVJOLFLUWRQS-UHFFFAOYSA-N
XLogP5.80
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.90
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
CID 175969235
N-(3-chloro-4-fluorophenyl)-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydropyrrolo[3,2-b]pyridine-2-carboxamide
CID 171484478
N-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydroimidazole-4-carboxamide
CID 171477839
N-(4-bromo-3-chlorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 176826415
N-(3-chloro-4-fluorophenyl)-4-[(dimethylamino)methyl]-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 165157795
(4S)-N-(3-chloro-4-fluorophenyl)-2-hydroxy-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidine-4-carboxamide
CID 167201479
N-(6-amino-2-pyridinyl)-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-N-(trideuteriomethyl)-2,3-dihydroindole-2-carboxamide
CID 171484470
N-(4-fluoro-3-methylphenyl)-3,4-dihydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 176826412
(4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
CID 169080939
N-methyl-N-(3-methylphenyl)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 156637482
(4S)-N-(3-chloro-4-fluorophenyl)-1-[2-(dimethylsulfamoyl)ethyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide;(4S)-N-(3-chloro-4-fluorophenyl)-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
CID 167674838
(2S,4S)-4-N-(azetidin-3-yl)-2-N-(3-chloro-4-fluorophenyl)-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide
CID 168877114

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide (CID 175969241) is N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide is Cc1cc(C(F)(F)F)cc(N2c3cc(O)ccc3CC2C(=O)N(C)c2ccc(Cl)c(C)c2)n1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is ODMVJOLFLUWRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O2/c1-13-8-17(5-7-19(13)25)30(3)23(33)21-10-15-4-6-18(32)12-20(15)31(21)22-11-16(24(26,27)28)9-14(2)29-22/h4-9,11-12,21,32H,10H2,1-3H3.
What are the key properties of N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 475.90 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-6-hydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 175969241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).