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

C25H23ClF3N3O2 — CID 175969235

IUPACN-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
SMILESCOc1ccc2c(c1)N(c1cc(C(F)(F)F)cc(C)n1)C(C(=O)N(C)c1ccc(Cl)c(C)c1)C2
InChIInChI=1S/C25H23ClF3N3O2/c1-14-9-18(6-8-20(14)26)31(3)24(33)22-11-16-5-7-19(34-4)13-21(16)32(22)23-12-17(25(27,28)29)10-15(2)30-23/h5-10,12-13,22H,11H2,1-4H3
InChIKeyLRXVFZCVVMZJDX-UHFFFAOYSA-N
MW489.93 g/mol
LogP6.11
Rot. Bonds4

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

N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 175969235) has the molecular formula C25H23ClF3N3O2 and a molecular weight of 489.93 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
PubChem CID175969235
Molecular FormulaC25H23ClF3N3O2
Molecular Weight489.93 g/mol
Exact Mass489.14
IUPAC NameN-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide
SMILESCOc1ccc2c(c1)N(c1cc(C(F)(F)F)cc(C)n1)C(C(=O)N(C)c1ccc(Cl)c(C)c1)C2
InChIInChI=1S/C25H23ClF3N3O2/c1-14-9-18(6-8-20(14)26)31(3)24(33)22-11-16-5-7-19(34-4)13-21(16)32(22)23-12-17(25(27,28)29)10-15(2)30-23/h5-10,12-13,22H,11H2,1-4H3
InChIKeyLRXVFZCVVMZJDX-UHFFFAOYSA-N
XLogP6.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.93
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide (CID 175969235) is N-(4-chloro-3-methylphenyl)-6-methoxy-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-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide is COc1ccc2c(c1)N(c1cc(C(F)(F)F)cc(C)n1)C(C(=O)N(C)c1ccc(Cl)c(C)c1)C2.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is LRXVFZCVVMZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N3O2/c1-14-9-18(6-8-20(14)26)31(3)24(33)22-11-16-5-7-19(34-4)13-21(16)32(22)23-12-17(25(27,28)29)10-15(2)30-23/h5-10,12-13,22H,11H2,1-4H3.
What are the key properties of N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide?
N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 489.93 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-6-methoxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 175969235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).