3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide

C20H21Cl2N3O — CID 30945806

IUPAC3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C20H21Cl2N3O/c1-24(2)19(15-12-25(3)18-7-5-4-6-14(15)18)11-23-20(26)13-8-9-16(21)17(22)10-13/h4-10,12,19H,11H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyVJGLTEVNCWGYFI-LJQANCHMSA-N
MW390.31 g/mol
LogP4.52
Rot. Bonds5

About 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide

3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide (PubChem CID 30945806) has the molecular formula C20H21Cl2N3O and a molecular weight of 390.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
PubChem CID30945806
Molecular FormulaC20H21Cl2N3O
Molecular Weight390.31 g/mol
Exact Mass389.11
IUPAC Name3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
SMILESCN(C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C20H21Cl2N3O/c1-24(2)19(15-12-25(3)18-7-5-4-6-14(15)18)11-23-20(26)13-8-9-16(21)17(22)10-13/h4-10,12,19H,11H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeyVJGLTEVNCWGYFI-LJQANCHMSA-N
XLogP4.52
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
3-cyano-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90490793
2-chloro-N-[(2R)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-6-fluorobenzamide
CID 30945646
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N'-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90490981
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
CID 71780311
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide (CID 30945806) is 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide is CN(C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1cn(C)c2ccccc12.
What is the InChIKey of 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
The InChIKey is VJGLTEVNCWGYFI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21Cl2N3O/c1-24(2)19(15-12-25(3)18-7-5-4-6-14(15)18)11-23-20(26)13-8-9-16(21)17(22)10-13/h4-10,12,19H,11H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide?
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide has a molecular weight of 390.31 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide is sourced from PubChem (CID 30945806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).