N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C23H24ClN3O3 — CID 91955675

IUPACN-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC(O)c1ccccc1Cl)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H24ClN3O3/c24-18-7-3-1-6-17(18)21(28)11-12-25-23(30)20-9-10-22(29)27(20)14-15-13-26-19-8-4-2-5-16(15)19/h1-8,13,20-21,26,28H,9-12,14H2,(H,25,30)
InChIKeyMDYAZIKSRFYKNK-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.55
Rot. Bonds7

About N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955675) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91955675
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC(O)c1ccccc1Cl)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H24ClN3O3/c24-18-7-3-1-6-17(18)21(28)11-12-25-23(30)20-9-10-22(29)27(20)14-15-13-26-19-8-4-2-5-16(15)19/h1-8,13,20-21,26,28H,9-12,14H2,(H,25,30)
InChIKeyMDYAZIKSRFYKNK-UHFFFAOYSA-N
XLogP3.55
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
N-[3-(3-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954637
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955560
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596
1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91957713

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 91955675) is N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCC(O)c1ccccc1Cl)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MDYAZIKSRFYKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-18-7-3-1-6-17(18)21(28)11-12-25-23(30)20-9-10-22(29)27(20)14-15-13-26-19-8-4-2-5-16(15)19/h1-8,13,20-21,26,28H,9-12,14H2,(H,25,30).
What are the key properties of N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).