(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide

C23H19ClN2O2 — CID 97267367

IUPAC(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C23H19ClN2O2/c24-17-7-9-18(10-8-17)25-23(28)16-12-21(27)26(13-16)20-11-6-15-5-4-14-2-1-3-19(20)22(14)15/h1-3,6-11,16H,4-5,12-13H2,(H,25,28)/t16-/m1/s1
InChIKeySDFZGNDXFZHOAE-MRXNPFEDSA-N
MW390.87 g/mol
LogP4.58
Rot. Bonds3

About (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97267367) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97267367
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name(3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1
InChIInChI=1S/C23H19ClN2O2/c24-17-7-9-18(10-8-17)25-23(28)16-12-21(27)26(13-16)20-11-6-15-5-4-14-2-1-3-19(20)22(14)15/h1-3,6-11,16H,4-5,12-13H2,(H,25,28)/t16-/m1/s1
InChIKeySDFZGNDXFZHOAE-MRXNPFEDSA-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

N-(3-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 21213729
(3S)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1074693
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
(3R)-1-(1,2-dihydroacenaphthylen-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 1085747
N-(4-chlorophenyl)-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465842
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
(3S)-N-(4-chlorophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351333
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
N-(4-chlorophenyl)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191590

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 97267367) is (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SDFZGNDXFZHOAE-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-17-7-9-18(10-8-17)25-23(28)16-12-21(27)26(13-16)20-11-6-15-5-4-14-2-1-3-19(20)22(14)15/h1-3,6-11,16H,4-5,12-13H2,(H,25,28)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(4-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 (3R)-N-(4-chlorophenyl)-1-(1,2-dihydroacenaphthylen-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97267367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).