5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C15H11ClF3N3O — CID 10641013

IUPAC5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(Cl)c(C(F)(F)F)cc21
InChIInChI=1S/C15H11ClF3N3O/c16-12-6-9-3-5-22(13(9)7-11(12)15(17,18)19)14(23)21-10-2-1-4-20-8-10/h1-2,4,6-8H,3,5H2,(H,21,23)
InChIKeyPDBHPNFGDHQUIG-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.35
Rot. Bonds1

About 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 10641013) has the molecular formula C15H11ClF3N3O and a molecular weight of 341.72 g/mol. Its IUPAC name is 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID10641013
Molecular FormulaC15H11ClF3N3O
Molecular Weight341.72 g/mol
Exact Mass341.05
IUPAC Name5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cc(Cl)c(C(F)(F)F)cc21
InChIInChI=1S/C15H11ClF3N3O/c16-12-6-9-3-5-22(13(9)7-11(12)15(17,18)19)14(23)21-10-2-1-4-20-8-10/h1-2,4,6-8H,3,5H2,(H,21,23)
InChIKeyPDBHPNFGDHQUIG-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(pyridin-3-yl)indoline-1-carboxamide
CID 10730997
N-(pyridin-3-yl)indoline-1-carboxamide
CID 10823903
5-chloro-N-(pyridin-3-yl)indoline-1-carboxamide
CID 10826147
6-chloro-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 9882393
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-7-yl)urea
CID 10237015
6-Chloro-5-isopropyl-1-(3-pyridylcarbamoyl)indoline
CID 10495578
6-Chloro-5-ethyl-1-(3-pyridylcarbamoyl)indoline
CID 10518435
4,5-Dichloro-1-(3-pyridylcarbamoyl)indoline
CID 10566712
4,6-dichloro-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10567817
6,7-dichloro-N-(pyridin-3-yl)indoline-1-carboxamide
CID 10590891
5,6-dichloro-N-(pyridin-3-yl)indoline-1-carboxamide
CID 10590892
4-Chloro-5-tert-butyl-1-(3-pyridylcarbamoyl)indoline
CID 10687827

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 10641013) is 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is O=C(Nc1cccnc1)N1CCc2cc(Cl)c(C(F)(F)F)cc21.
What is the InChIKey of 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is PDBHPNFGDHQUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O/c16-12-6-9-3-5-22(13(9)7-11(12)15(17,18)19)14(23)21-10-2-1-4-20-8-10/h1-2,4,6-8H,3,5H2,(H,21,23).
What are the key properties of 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 341.72 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 10641013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).