N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

C22H21ClN4O3 — CID 124542495

IUPACN-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1
InChIInChI=1S/C22H21ClN4O3/c1-13(28)26-16-3-5-17(6-4-16)27-21(29)11-20(22(27)30)24-9-8-14-12-25-19-7-2-15(23)10-18(14)19/h2-7,10,12,20,24-25H,8-9,11H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyDJDMICDWJVQSJI-FQEVSTJZSA-N
MW424.89 g/mol
LogP3.24
Rot. Bonds6

About N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide

N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (PubChem CID 124542495) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
PubChem CID124542495
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1
InChIInChI=1S/C22H21ClN4O3/c1-13(28)26-16-3-5-17(6-4-16)27-21(29)11-20(22(27)30)24-9-8-14-12-25-19-7-2-15(23)10-18(14)19/h2-7,10,12,20,24-25H,8-9,11H2,1H3,(H,26,28)/t20-/m0/s1
InChIKeyDJDMICDWJVQSJI-FQEVSTJZSA-N
XLogP3.24
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 40520421
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
(3S)-1-(4-bromophenyl)-3-[2-(5-methyl-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 40818428
3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 4874274
(3R)-1-(3,5-dichlorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7647709
(3R)-1-(3-chloro-4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7357869
1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874251
(3R)-1-(4-fluorophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 7335759
1-(5-chloro-2-methylphenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 4874247
ethyl 4-[(3S)-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27892820
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione;oxalic acid
CID 90485752

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide (CID 124542495) is N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1.
What is the InChIKey of N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
The InChIKey is DJDMICDWJVQSJI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-13(28)26-16-3-5-17(6-4-16)27-21(29)11-20(22(27)30)24-9-8-14-12-25-19-7-2-15(23)10-18(14)19/h2-7,10,12,20,24-25H,8-9,11H2,1H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide?
N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 124542495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).