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

C24H22N2O2 — CID 1074693

IUPAC(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C24H22N2O2/c1-15-5-2-3-8-20(15)25-24(28)18-13-22(27)26(14-18)21-12-11-17-10-9-16-6-4-7-19(21)23(16)17/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyBMKQZCQSMUCDCG-SFHVURJKSA-N
MW370.45 g/mol
LogP4.24
Rot. Bonds3

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

(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1074693) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1074693
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C24H22N2O2/c1-15-5-2-3-8-20(15)25-24(28)18-13-22(27)26(14-18)21-12-11-17-10-9-16-6-4-7-19(21)23(16)17/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,25,28)/t18-/m0/s1
InChIKeyBMKQZCQSMUCDCG-SFHVURJKSA-N
XLogP4.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 1085747
(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 97267367
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 21213729
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155643
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3S)-N-(2-bromophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351107
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 1074693) is (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BMKQZCQSMUCDCG-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-15-5-2-3-8-20(15)25-24(28)18-13-22(27)26(14-18)21-12-11-17-10-9-16-6-4-7-19(21)23(16)17/h2-8,11-12,18H,9-10,13-14H2,1H3,(H,25,28)/t18-/m0/s1.
What are the key properties of (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1074693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).