N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide

C21H20ClN3O — CID 71709006

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C21H20ClN3O/c22-17-5-6-19-18(13-17)16(14-24-19)7-10-23-21(26)9-12-25-11-8-15-3-1-2-4-20(15)25/h1-6,8,11,13-14,24H,7,9-10,12H2,(H,23,26)
InChIKeyCSCGOWSLLNRSPZ-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide (PubChem CID 71709006) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
PubChem CID71709006
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C21H20ClN3O/c22-17-5-6-19-18(13-17)16(14-24-19)7-10-23-21(26)9-12-25-11-8-15-3-1-2-4-20(15)25/h1-6,8,11,13-14,24H,7,9-10,12H2,(H,23,26)
InChIKeyCSCGOWSLLNRSPZ-UHFFFAOYSA-N
XLogP4.53
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50780899
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114637
3-indol-1-yl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 31830439
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanamide
CID 91821318
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-[2-(furan-2-yl)ethyl]-3-indol-1-ylpropanamide
CID 18111353
1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 91652383

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide (CID 71709006) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide is O=C(CCn1ccc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide?
The InChIKey is CSCGOWSLLNRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-17-5-6-19-18(13-17)16(14-24-19)7-10-23-21(26)9-12-25-11-8-15-3-1-2-4-20(15)25/h1-6,8,11,13-14,24H,7,9-10,12H2,(H,23,26).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide has a molecular weight of 365.86 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 71709006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).