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

C21H24ClN3O — CID 76852576

IUPAC2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H24ClN3O/c1-3-24(4-2)15-14-23-21(26)19-17-12-8-9-13-18(17)25(20(19)22)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyJXMPOIJOLAZMER-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.36
Rot. Bonds7

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

2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide (PubChem CID 76852576) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide
PubChem CID76852576
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(Cl)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C21H24ClN3O/c1-3-24(4-2)15-14-23-21(26)19-17-12-8-9-13-18(17)25(20(19)22)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyJXMPOIJOLAZMER-UHFFFAOYSA-N
XLogP4.36
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
CID 10804691
CID 10617961
CID 10617961
[2-[3-(diethylamino)propylcarbamoyl]-1-phenylindol-3-yl] acetate
CID 13344650
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
[2-[4-(diethylamino)butylcarbamoyl]-1-phenylindol-3-yl] benzoate
CID 21270115
2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide
CID 131882607
2-chloro-1-phenyl-N-piperidin-1-ylindole-3-carboxamide;hydrochloride
CID 131882606
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-[2-(diethylamino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 20861285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide (CID 76852576) is 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide is CCN(CC)CCNC(=O)c1c(Cl)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide?
The InChIKey is JXMPOIJOLAZMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-3-24(4-2)15-14-23-21(26)19-17-12-8-9-13-18(17)25(20(19)22)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide?
2-chloro-N-[2-(diethylamino)ethyl]-1-phenylindole-3-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 4.36, 7 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-phenylindole-3-carboxamide is sourced from PubChem (CID 76852576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).