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

C19H24ClN3O2 — CID 17082685

IUPAC1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1=O
InChIInChI=1S/C19H24ClN3O2/c1-2-3-8-23-12-14(9-18(23)24)19(25)21-7-6-13-11-22-17-5-4-15(20)10-16(13)17/h4-5,10-11,14,22H,2-3,6-9,12H2,1H3,(H,21,25)
InChIKeyNFSLPDAHZGNVLV-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.13
Rot. Bonds7

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

1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082685) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17082685
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1=O
InChIInChI=1S/C19H24ClN3O2/c1-2-3-8-23-12-14(9-18(23)24)19(25)21-7-6-13-11-22-17-5-4-15(20)10-16(13)17/h4-5,10-11,14,22H,2-3,6-9,12H2,1H3,(H,21,25)
InChIKeyNFSLPDAHZGNVLV-UHFFFAOYSA-N
XLogP3.13
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182019
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120984
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
(3R)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388624
N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489383
1-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 49408553
1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113185877
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 17082685) is 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1=O.
What is the InChIKey of 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NFSLPDAHZGNVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-2-3-8-23-12-14(9-18(23)24)19(25)21-7-6-13-11-22-17-5-4-15(20)10-16(13)17/h4-5,10-11,14,22H,2-3,6-9,12H2,1H3,(H,21,25).
What are the key properties of 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.87 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).