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

C21H22ClN3O — CID 66831985

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H22ClN3O/c22-18-6-7-20-19(12-18)16(13-24-20)8-10-23-21(26)25-11-9-17(14-25)15-4-2-1-3-5-15/h1-7,12-13,17,24H,8-11,14H2,(H,23,26)
InChIKeyMRDHSOZZLILLJQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.56
Rot. Bonds4

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 66831985) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID66831985
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H22ClN3O/c22-18-6-7-20-19(12-18)16(13-24-20)8-10-23-21(26)25-11-9-17(14-25)15-4-2-1-3-5-15/h1-7,12-13,17,24H,8-11,14H2,(H,23,26)
InChIKeyMRDHSOZZLILLJQ-UHFFFAOYSA-N
XLogP4.56
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
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CID 66832116
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carboxamide
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1-benzoyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
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N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119706636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
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N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909
1-(3-benzylpiperidin-1-yl)-4-(5-chloro-1H-indol-3-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide (CID 66831985) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is MRDHSOZZLILLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-18-6-7-20-19(12-18)16(13-24-20)8-10-23-21(26)25-11-9-17(14-25)15-4-2-1-3-5-15/h1-7,12-13,17,24H,8-11,14H2,(H,23,26).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 66831985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).