6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide

C22H20Cl2N4O2 — CID 112843310

IUPAC6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(CCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H20Cl2N4O2/c1-27(21(29)19-9-13-3-5-15(23)11-17(13)25-19)7-8-28(2)22(30)20-10-14-4-6-16(24)12-18(14)26-20/h3-6,9-12,25-26H,7-8H2,1-2H3
InChIKeyGKSDQMUOELQCKU-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.80
Rot. Bonds5

About 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide

6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 112843310) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
PubChem CID112843310
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(CCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C22H20Cl2N4O2/c1-27(21(29)19-9-13-3-5-15(23)11-17(13)25-19)7-8-28(2)22(30)20-10-14-4-6-16(24)12-18(14)26-20/h3-6,9-12,25-26H,7-8H2,1-2H3
InChIKeyGKSDQMUOELQCKU-UHFFFAOYSA-N
XLogP4.80
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
CID 111695370
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 86930386
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 86768422
6-chloro-N-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indole-2-carboxamide
CID 100630533
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-[(5-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
CID 55559287
N-[2-(diethylamino)-2-oxoethyl]-N,6-dimethyl-1H-indole-2-carboxamide
CID 39949319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide (CID 112843310) is 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide is CN(CCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is GKSDQMUOELQCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c1-27(21(29)19-9-13-3-5-15(23)11-17(13)25-19)7-8-28(2)22(30)20-10-14-4-6-16(24)12-18(14)26-20/h3-6,9-12,25-26H,7-8H2,1-2H3.
What are the key properties of 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide?
6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 443.33 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 112843310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).