(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

C21H16ClNO3 — CID 9057249

IUPAC(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H16ClNO3/c22-17-9-3-4-11-19(17)26-21(25)15-12-20(24)23(13-15)18-10-5-7-14-6-1-2-8-16(14)18/h1-11,15H,12-13H2/t15-/m1/s1
InChIKeyFTSASYLXEJPQHT-OAHLLOKOSA-N
MW365.82 g/mol
LogP4.45
Rot. Bonds3

About (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate

(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (PubChem CID 9057249) has the molecular formula C21H16ClNO3 and a molecular weight of 365.82 g/mol. Its IUPAC name is (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
PubChem CID9057249
Molecular FormulaC21H16ClNO3
Molecular Weight365.82 g/mol
Exact Mass365.08
IUPAC Name(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C21H16ClNO3/c22-17-9-3-4-11-19(17)26-21(25)15-12-20(24)23(13-15)18-10-5-7-14-6-1-2-8-16(14)18/h1-11,15H,12-13H2/t15-/m1/s1
InChIKeyFTSASYLXEJPQHT-OAHLLOKOSA-N
XLogP4.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl) (3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057636
(4-fluorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate
CID 97310896
(2-chlorophenyl) (3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057050
(2-chlorophenyl) (3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057607
(2,3-dimethylphenyl) (3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057575
(2-chlorophenyl) (3R)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057079
(2-chlorophenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056891
(3R)-N-(3,4-dichlorophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005097
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(2-chlorophenyl) (3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 26096521

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate (CID 9057249) is (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is FTSASYLXEJPQHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H16ClNO3/c22-17-9-3-4-11-19(17)26-21(25)15-12-20(24)23(13-15)18-10-5-7-14-6-1-2-8-16(14)18/h1-11,15H,12-13H2/t15-/m1/s1.
What are the key properties of (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate?
(2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 365.82 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) (3R)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 9057249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).