4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide

C22H28ClF2N3O2 — CID 121393278

IUPAC4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide
SMILESCN1CCOC(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc32)C1
InChIInChI=1S/C22H28ClF2N3O2/c1-27-9-10-30-16(12-27)13-28-14-17(20-18(23)3-2-4-19(20)28)21(29)26-11-15-5-7-22(24,25)8-6-15/h2-4,14-16H,5-13H2,1H3,(H,26,29)
InChIKeyRSTDDEJXUGJOEL-UHFFFAOYSA-N
MW439.93 g/mol
LogP4.18
Rot. Bonds5

About 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide

4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide (PubChem CID 121393278) has the molecular formula C22H28ClF2N3O2 and a molecular weight of 439.93 g/mol. Its IUPAC name is 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide
PubChem CID121393278
Molecular FormulaC22H28ClF2N3O2
Molecular Weight439.93 g/mol
Exact Mass439.18
IUPAC Name4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide
SMILESCN1CCOC(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc32)C1
InChIInChI=1S/C22H28ClF2N3O2/c1-27-9-10-30-16(12-27)13-28-14-17(20-18(23)3-2-4-19(20)28)21(29)26-11-15-5-7-22(24,25)8-6-15/h2-4,14-16H,5-13H2,1H3,(H,26,29)
InChIKeyRSTDDEJXUGJOEL-UHFFFAOYSA-N
XLogP4.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.93
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide with MolForge

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Related Compounds

N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
(3R,4S)-N-[[4-chloro-1-(3-methoxypropyl)indol-3-yl]methyl]-N-cyclopropyl-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 44479310
(3-chloro-4-fluorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298375
1H-indol-3-yl(morpholino)methanone
CID 1481812
1-[1-[(2-Chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
CID 2233828
5-Fluoro emb-pica
CID 155907803
N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 156010067
2-[3-(2-fluorobenzoyl)-1H-indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 2974758
1-(4-benzoylpiperazin-1-yl)-2-(4-chloro-1H-indol-3-yl)ethane-1,2-dione
CID 506215
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 9935015
2-(6-chloro-5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 10050372
1-[(4-Chlorophenyl)methyl]-2,3-dimethyl-N-[3-(morpholin-4-YL)propyl]-1H-indole-5-carboxamide
CID 20940258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide (CID 121393278) is 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide is CN1CCOC(Cn2cc(C(=O)NCC3CCC(F)(F)CC3)c3c(Cl)cccc32)C1.
What is the InChIKey of 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide?
The InChIKey is RSTDDEJXUGJOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClF2N3O2/c1-27-9-10-30-16(12-27)13-28-14-17(20-18(23)3-2-4-19(20)28)21(29)26-11-15-5-7-22(24,25)8-6-15/h2-4,14-16H,5-13H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide?
4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide has a molecular weight of 439.93 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4,4-difluorocyclohexyl)methyl]-1-[(4-methylmorpholin-2-yl)methyl]indole-3-carboxamide is sourced from PubChem (CID 121393278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).