(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C21H16Cl2N2O2 — CID 9005107

IUPAC(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H16Cl2N2O2/c22-15-8-9-17(23)18(11-15)24-21(27)14-10-20(26)25(12-14)19-7-3-5-13-4-1-2-6-16(13)19/h1-9,11,14H,10,12H2,(H,24,27)/t14-/m1/s1
InChIKeyDWWDZOUMGCWPHL-CQSZACIVSA-N
MW399.28 g/mol
LogP5.14
Rot. Bonds3

About (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9005107) has the molecular formula C21H16Cl2N2O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID9005107
Molecular FormulaC21H16Cl2N2O2
Molecular Weight399.28 g/mol
Exact Mass398.06
IUPAC Name(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H16Cl2N2O2/c22-15-8-9-17(23)18(11-15)24-21(27)14-10-20(26)25(12-14)19-7-3-5-13-4-1-2-6-16(13)19/h1-9,11,14H,10,12H2,(H,24,27)/t14-/m1/s1
InChIKeyDWWDZOUMGCWPHL-CQSZACIVSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
N-(2,5-dichlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42997285
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-N-(2,5-dichlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260559
(3S)-N-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
(3R)-N-(2,5-dichlorophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056464
(3S)-1-(4-chlorophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1077272
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
(3R)-1-naphthalen-1-yl-5-oxo-N-(4-oxo-1H-pyridin-3-yl)pyrrolidine-3-carboxamide
CID 52527278

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 9005107) is (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DWWDZOUMGCWPHL-CQSZACIVSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2/c22-15-8-9-17(23)18(11-15)24-21(27)14-10-20(26)25(12-14)19-7-3-5-13-4-1-2-6-16(13)19/h1-9,11,14H,10,12H2,(H,24,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.28 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9005107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).