N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C23H19ClF3N3O2 — CID 10766449

IUPACN-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cnccc3C)c1)CC2
InChIInChI=1S/C23H19ClF3N3O2/c1-13-5-7-28-12-17(13)16-10-15(3-4-19(16)24)29-22(31)30-8-6-14-9-21(32-2)18(11-20(14)30)23(25,26)27/h3-5,7,9-12H,6,8H2,1-2H3,(H,29,31)
InChIKeyJPJZJSNUFFGCEC-UHFFFAOYSA-N
MW461.87 g/mol
LogP6.33
Rot. Bonds3

About N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10766449) has the molecular formula C23H19ClF3N3O2 and a molecular weight of 461.87 g/mol. Its IUPAC name is N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10766449
Molecular FormulaC23H19ClF3N3O2
Molecular Weight461.87 g/mol
Exact Mass461.11
IUPAC NameN-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCOc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cnccc3C)c1)CC2
InChIInChI=1S/C23H19ClF3N3O2/c1-13-5-7-28-12-17(13)16-10-15(3-4-19(16)24)29-22(31)30-8-6-14-9-21(32-2)18(11-20(14)30)23(25,26)27/h3-5,7,9-12H,6,8H2,1-2H3,(H,29,31)
InChIKeyJPJZJSNUFFGCEC-UHFFFAOYSA-N
XLogP6.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.87
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10766449) is N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cnccc3C)c1)CC2.
What is the InChIKey of N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is JPJZJSNUFFGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O2/c1-13-5-7-28-12-17(13)16-10-15(3-4-19(16)24)29-22(31)30-8-6-14-9-21(32-2)18(11-20(14)30)23(25,26)27/h3-5,7,9-12H,6,8H2,1-2H3,(H,29,31).
What are the key properties of N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 461.87 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(4-methyl-3-pyridinyl)phenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10766449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).