3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

C22H23ClN2O2 — CID 20899818

IUPAC3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)N1CCOCC1
InChIInChI=1S/C22H23ClN2O2/c23-20-7-3-1-5-18(20)16-25-15-17(19-6-2-4-8-21(19)25)9-10-22(26)24-11-13-27-14-12-24/h1-8,15H,9-14,16H2
InChIKeyAUUBMUHCQXOFDZ-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.13
Rot. Bonds5

About 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 20899818) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID20899818
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)N1CCOCC1
InChIInChI=1S/C22H23ClN2O2/c23-20-7-3-1-5-18(20)16-25-15-17(19-6-2-4-8-21(19)25)9-10-22(26)24-11-13-27-14-12-24/h1-8,15H,9-14,16H2
InChIKeyAUUBMUHCQXOFDZ-UHFFFAOYSA-N
XLogP4.13
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20900005
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
CID 22522978
[1-[4-(2-chlorophenyl)butyl]indol-3-yl]-morpholin-4-ylmethanone
CID 178132526
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propan-1-one
CID 20899868
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(3-phenylpropyl)propanamide
CID 20899830
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 1277223
1-morpholin-4-yl-2-[3-(nitrosomethyl)indol-1-yl]ethanone
CID 91897411
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one (CID 20899818) is 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)N1CCOCC1.
What is the InChIKey of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is AUUBMUHCQXOFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-20-7-3-1-5-18(20)16-25-15-17(19-6-2-4-8-21(19)25)9-10-22(26)24-11-13-27-14-12-24/h1-8,15H,9-14,16H2.
What are the key properties of 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 382.89 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 20899818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).