4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide

C21H25ClF2N2O3 — CID 121393280

IUPAC4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1cn(CC2CCOC2)c2cccc(Cl)c12
InChIInChI=1S/C21H25ClF2N2O3/c22-16-2-1-3-17-18(16)15(11-26(17)10-14-4-9-29-12-14)19(27)25-13-20(28)5-7-21(23,24)8-6-20/h1-3,11,14,28H,4-10,12-13H2,(H,25,27)
InChIKeyQXXIDFSPMZNWAG-UHFFFAOYSA-N
MW426.89 g/mol
LogP4.00
Rot. Bonds5

About 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide

4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide (PubChem CID 121393280) has the molecular formula C21H25ClF2N2O3 and a molecular weight of 426.89 g/mol. Its IUPAC name is 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide
PubChem CID121393280
Molecular FormulaC21H25ClF2N2O3
Molecular Weight426.89 g/mol
Exact Mass426.15
IUPAC Name4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide
SMILESO=C(NCC1(O)CCC(F)(F)CC1)c1cn(CC2CCOC2)c2cccc(Cl)c12
InChIInChI=1S/C21H25ClF2N2O3/c22-16-2-1-3-17-18(16)15(11-26(17)10-14-4-9-29-12-14)19(27)25-13-20(28)5-7-21(23,24)8-6-20/h1-3,11,14,28H,4-10,12-13H2,(H,25,27)
InChIKeyQXXIDFSPMZNWAG-UHFFFAOYSA-N
XLogP4.00
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-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 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide (CID 121393280) is 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide is O=C(NCC1(O)CCC(F)(F)CC1)c1cn(CC2CCOC2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide?
The InChIKey is QXXIDFSPMZNWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF2N2O3/c22-16-2-1-3-17-18(16)15(11-26(17)10-14-4-9-29-12-14)19(27)25-13-20(28)5-7-21(23,24)8-6-20/h1-3,11,14,28H,4-10,12-13H2,(H,25,27).
What are the key properties of 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide?
4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide has a molecular weight of 426.89 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-1-(oxolan-3-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 121393280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).