N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide

C23H19ClN2O2 — CID 21213729

IUPACN-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C23H19ClN2O2/c24-17-4-2-5-18(12-17)25-23(28)16-11-21(27)26(13-16)20-10-9-15-8-7-14-3-1-6-19(20)22(14)15/h1-6,9-10,12,16H,7-8,11,13H2,(H,25,28)
InChIKeySPPQPHQJKZOCGJ-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.58
Rot. Bonds3

About N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide

N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 21213729) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID21213729
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC NameN-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C23H19ClN2O2/c24-17-4-2-5-18(12-17)25-23(28)16-11-21(27)26(13-16)20-10-9-15-8-7-14-3-1-6-19(20)22(14)15/h1-6,9-10,12,16H,7-8,11,13H2,(H,25,28)
InChIKeySPPQPHQJKZOCGJ-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 97267367
(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1074693
N-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55616772
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 1085747
(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004912
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 21213729) is N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SPPQPHQJKZOCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-17-4-2-5-18(12-17)25-23(28)16-11-21(27)26(13-16)20-10-9-15-8-7-14-3-1-6-19(20)22(14)15/h1-6,9-10,12,16H,7-8,11,13H2,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 21213729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).