1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid

C18H15Cl2NO3 — CID 139559148

IUPAC1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2)N1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H15Cl2NO3/c19-13-8-12(9-14(20)10-13)17(22)21-15(6-7-16(21)18(23)24)11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2,(H,23,24)
InChIKeyCOXQGXDDSYNZLF-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.42
Rot. Bonds3

About 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid

1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid (PubChem CID 139559148) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid
PubChem CID139559148
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2)N1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H15Cl2NO3/c19-13-8-12(9-14(20)10-13)17(22)21-15(6-7-16(21)18(23)24)11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2,(H,23,24)
InChIKeyCOXQGXDDSYNZLF-UHFFFAOYSA-N
XLogP4.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-5-(2-chlorophenyl)-1-[4-(2,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 71225806
(2S,5S)-5-(2-chlorophenyl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 53257662
(2S,5R)-5-(2-chlorophenyl)-1-[4-(3-methylphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 67257137
(2S,5R)-5-(2-chlorophenyl)-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 67258496
5-(2-chlorophenyl)-1-[3-[(4-chlorophenyl)methoxy]-5-methoxybenzoyl]pyrrolidine-2-carboxylic acid
CID 67258668
1-[4-(3-carbamoylphenyl)benzoyl]-5-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 77255537
(2R,3aS,7aR)-1-(3-chlorobenzoyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 51703815
(2S,5R)-5-(2-chlorophenyl)-1-[4-[(3-chlorophenyl)methoxy]benzoyl]pyrrolidine-2-carboxylic acid
CID 53258008
(3-methyl-2,6-diphenylpiperidin-1-yl)-phenylmethanone
CID 133083666
(2S,5R)-5-(2-chlorophenyl)-1-(4-pyrimidin-5-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 53258221
(2S,5R)-5-(2-chlorophenyl)-1-(3-phenylmethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 67255889
(2S,5R)-5-(2-chlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 162396163

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid (CID 139559148) is 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid is O=C(O)C1CCC(c2ccccc2)N1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is COXQGXDDSYNZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c19-13-8-12(9-14(20)10-13)17(22)21-15(6-7-16(21)18(23)24)11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2,(H,23,24).
What are the key properties of 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid?
1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 364.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorobenzoyl)-5-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 139559148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).