2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone

C21H20Cl2N2O2 — CID 25031483

IUPAC2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-6-5-15(11-19(18)23)13-25-14-16(17-3-1-2-4-20(17)25)12-21(26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2
InChIKeyPCRPRLYOULVIGI-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.40
Rot. Bonds4

About 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone

2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone (PubChem CID 25031483) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
PubChem CID25031483
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC Name2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-6-5-15(11-19(18)23)13-25-14-16(17-3-1-2-4-20(17)25)12-21(26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2
InChIKeyPCRPRLYOULVIGI-UHFFFAOYSA-N
XLogP4.40
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327721
3-(1-methyl-1H-indol-3-yl)-4-(2,3,6-trichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327722
1-Benzyl-4-{3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperazin-2-one
CID 18669080
1-(4-Benzyl-piperazin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 18669091
1-(4-Benzyl-4-fluoro-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334127
(3,4-dichlorophenyl)-[4-[[3-(5-fluoro-1H-indol-3-yl)propylamino]methyl]piperidin-1-yl]methanone
CID 168298410
1-[1-[(2-Chlorophenyl)methyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
CID 2233828
3-(3-chlorophenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327707
(2S,5S,8R,12R)-5-benzyl-8-[(3,4-dichlorophenyl)methyl]-2-(1H-indol-3-ylmethyl)-12-morpholin-4-yl-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
CID 11205157
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
N-(1-{3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propionyl}-piperidin-4-yl)-N-phenyl-propionamide
CID 44333730
1-(4-Acetyl-4-phenyl-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334107

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone (CID 25031483) is 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone is O=C(Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCOCC1.
What is the InChIKey of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
The InChIKey is PCRPRLYOULVIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-18-6-5-15(11-19(18)23)13-25-14-16(17-3-1-2-4-20(17)25)12-21(26)24-7-9-27-10-8-24/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone?
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone has a molecular weight of 403.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 25031483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).