(4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone

C19H18BrClN2O2 — CID 142901021

IUPAC(4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone
SMILESCN(C)CCOc1cn(C(=O)c2ccc(Br)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H18BrClN2O2/c1-22(2)9-10-25-18-12-23(17-8-7-15(21)11-16(17)18)19(24)13-3-5-14(20)6-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQLZMZERSOQQKEK-UHFFFAOYSA-N
MW421.72 g/mol
LogP4.69
Rot. Bonds5

About (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone

(4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone (PubChem CID 142901021) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone
PubChem CID142901021
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC Name(4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone
SMILESCN(C)CCOc1cn(C(=O)c2ccc(Br)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H18BrClN2O2/c1-22(2)9-10-25-18-12-23(17-8-7-15(21)11-16(17)18)19(24)13-3-5-14(20)6-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyQLZMZERSOQQKEK-UHFFFAOYSA-N
XLogP4.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine
CID 10544602
2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691484
2-[1-(2-bromo-4-methoxyphenyl)sulfonyl-6-chloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 68693045
2-[5-bromo-1-(2-bromo-4-methoxyphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 10482178
[5,7-dichloro-3-[2-(dimethylamino)ethoxy]-2-methylindol-1-yl]-phenylmethanone
CID 10385762
2-[1-(4-bromophenyl)sulfonyl-6-chloro-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690106
5-bromo-2-[2-(dimethylamino)ethoxy]benzenecarbothioamide
CID 20992605
2-(dimethylamino)ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 169177778
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
2-(dimethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658356
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone (CID 142901021) is (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone is CN(C)CCOc1cn(C(=O)c2ccc(Br)cc2)c2ccc(Cl)cc12.
What is the InChIKey of (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone?
The InChIKey is QLZMZERSOQQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c1-22(2)9-10-25-18-12-23(17-8-7-15(21)11-16(17)18)19(24)13-3-5-14(20)6-4-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone?
(4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone has a molecular weight of 421.72 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[5-chloro-3-[2-(dimethylamino)ethoxy]indol-1-yl]methanone is sourced from PubChem (CID 142901021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).