7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide

C15H19ClN2O4 — CID 166893138

IUPAC7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2c(OCCOCCOC)ccc(Cl)c2[nH]1
InChIInChI=1S/C15H19ClN2O4/c1-17-15(19)12-9-10-13(4-3-11(16)14(10)18-12)22-8-7-21-6-5-20-2/h3-4,9,18H,5-8H2,1-2H3,(H,17,19)
InChIKeyMDKGLYQSAOMXOZ-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.22
Rot. Bonds8

About 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide

7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide (PubChem CID 166893138) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide
PubChem CID166893138
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2c(OCCOCCOC)ccc(Cl)c2[nH]1
InChIInChI=1S/C15H19ClN2O4/c1-17-15(19)12-9-10-13(4-3-11(16)14(10)18-12)22-8-7-21-6-5-20-2/h3-4,9,18H,5-8H2,1-2H3,(H,17,19)
InChIKeyMDKGLYQSAOMXOZ-UHFFFAOYSA-N
XLogP2.22
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide
CID 154585763
5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
CID 154585764
4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4912552
4-methoxy-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide
CID 4974998
1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-chloro-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy-(9CI)
CID 91020656
6-chloro-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 164544078
N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-ethoxy-1H-indole-2-carboxamide
CID 164544323
N-[7-(hydroxyamino)-7-oxoheptyl]-4-methoxy-1H-indole-2-carboxamide
CID 44299474
(4-methoxy-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572107
N-[4-[[2-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl-propylamino]butyl]-1H-indole-2-carboxamide;hydrochloride
CID 155554006
5-chloro-3-(2-methoxyphenyl)-1H-indole-2-carboxamide
CID 162643218
5-chloro-3-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 162677001

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide (CID 166893138) is 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2c(OCCOCCOC)ccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is MDKGLYQSAOMXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-17-15(19)12-9-10-13(4-3-11(16)14(10)18-12)22-8-7-21-6-5-20-2/h3-4,9,18H,5-8H2,1-2H3,(H,17,19).
What are the key properties of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide?
7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166893138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).