5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide

C22H24ClF2N3O2 — CID 24736877

IUPAC5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2OC(F)F)C1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C22H24ClF2N3O2/c23-17-7-8-19-15(12-17)9-11-28(19)22(29)26-18-5-3-10-27(14-18)13-16-4-1-2-6-20(16)30-21(24)25/h1-2,4,6-8,12,18,21H,3,5,9-11,13-14H2,(H,26,29)
InChIKeyDIAVXHXALDLOQR-UHFFFAOYSA-N
MW435.90 g/mol
LogP4.68
Rot. Bonds5

About 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide

5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 24736877) has the molecular formula C22H24ClF2N3O2 and a molecular weight of 435.90 g/mol. Its IUPAC name is 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID24736877
Molecular FormulaC22H24ClF2N3O2
Molecular Weight435.90 g/mol
Exact Mass435.15
IUPAC Name5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCN(Cc2ccccc2OC(F)F)C1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C22H24ClF2N3O2/c23-17-7-8-19-15(12-17)9-11-28(19)22(29)26-18-5-3-10-27(14-18)13-16-4-1-2-6-20(16)30-21(24)25/h1-2,4,6-8,12,18,21H,3,5,9-11,13-14H2,(H,26,29)
InChIKeyDIAVXHXALDLOQR-UHFFFAOYSA-N
XLogP4.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide (CID 24736877) is 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide is O=C(NC1CCCN(Cc2ccccc2OC(F)F)C1)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is DIAVXHXALDLOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF2N3O2/c23-17-7-8-19-15(12-17)9-11-28(19)22(29)26-18-5-3-10-27(14-18)13-16-4-1-2-6-20(16)30-21(24)25/h1-2,4,6-8,12,18,21H,3,5,9-11,13-14H2,(H,26,29).
What are the key properties of 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 435.90 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).