2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide

C16H22ClN3O — CID 10804691

IUPAC2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(Cl)n(C)c2ccccc12
InChIInChI=1S/C16H22ClN3O/c1-4-20(5-2)11-10-18-16(21)14-12-8-6-7-9-13(12)19(3)15(14)17/h6-9H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyFXYKOORBFBFICE-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.90
Rot. Bonds6

About 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide

2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide (PubChem CID 10804691) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
PubChem CID10804691
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(Cl)n(C)c2ccccc12
InChIInChI=1S/C16H22ClN3O/c1-4-20(5-2)11-10-18-16(21)14-12-8-6-7-9-13(12)19(3)15(14)17/h6-9H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyFXYKOORBFBFICE-UHFFFAOYSA-N
XLogP2.90
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10617961
CID 10617961
2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide
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2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
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1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
2-N-(3-chloro-2,6-diethylphenyl)-1-methyl-3-N-propylindole-2,3-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide (CID 10804691) is 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide is CCN(CC)CCNC(=O)c1c(Cl)n(C)c2ccccc12.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is FXYKOORBFBFICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-4-20(5-2)11-10-18-16(21)14-12-8-6-7-9-13(12)19(3)15(14)17/h6-9H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide?
2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 307.83 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 10804691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).