1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

C21H17ClF3N5O2 — CID 59448209

IUPAC1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1nc(Cl)nc(N2CCc3cc(C(=O)NCc4ccccc4OC(F)(F)F)ccc32)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-12-27-19(22)29-20(28-12)30-9-8-13-10-14(6-7-16(13)30)18(31)26-11-15-4-2-3-5-17(15)32-21(23,24)25/h2-7,10H,8-9,11H2,1H3,(H,26,31)
InChIKeyVZVWWXPDIYCXPK-UHFFFAOYSA-N
MW463.85 g/mol
LogP4.36
Rot. Bonds5

About 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide

1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 59448209) has the molecular formula C21H17ClF3N5O2 and a molecular weight of 463.85 g/mol. Its IUPAC name is 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID59448209
Molecular FormulaC21H17ClF3N5O2
Molecular Weight463.85 g/mol
Exact Mass463.10
IUPAC Name1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1nc(Cl)nc(N2CCc3cc(C(=O)NCc4ccccc4OC(F)(F)F)ccc32)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-12-27-19(22)29-20(28-12)30-9-8-13-10-14(6-7-16(13)30)18(31)26-11-15-4-2-3-5-17(15)32-21(23,24)25/h2-7,10H,8-9,11H2,1H3,(H,26,31)
InChIKeyVZVWWXPDIYCXPK-UHFFFAOYSA-N
XLogP4.36
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-[(2-hydroxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 71018529
2-[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-dihydroisoindole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 25266584
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
N-[(2-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109328917
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CID 34554477
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CID 109329190
3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 112804201
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24560634
tert-butyl N-[3-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 34555235
2-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328560
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide (CID 59448209) is 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is Cc1nc(Cl)nc(N2CCc3cc(C(=O)NCc4ccccc4OC(F)(F)F)ccc32)n1.
What is the InChIKey of 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is VZVWWXPDIYCXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2/c1-12-27-19(22)29-20(28-12)30-9-8-13-10-14(6-7-16(13)30)18(31)26-11-15-4-2-3-5-17(15)32-21(23,24)25/h2-7,10H,8-9,11H2,1H3,(H,26,31).
What are the key properties of 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide?
1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 463.85 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 59448209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).