(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H14Cl2N2O2 — CID 678914

IUPAC(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14Cl2N2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1
InChIKeyIQNRVZRZRANFQM-NSHDSACASA-N
MW349.22 g/mol
LogP3.98
Rot. Bonds3

About (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 678914) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID678914
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14Cl2N2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1
InChIKeyIQNRVZRZRANFQM-NSHDSACASA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
1-(4-chlorophenyl)-N-[3-(2-methylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55852191
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55832891
(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2197777
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713
(3S)-N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058153
1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55853603

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 678914) is (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IQNRVZRZRANFQM-NSHDSACASA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-12-4-6-15(7-5-12)21-10-11(8-16(21)22)17(23)20-14-3-1-2-13(19)9-14/h1-7,9,11H,8,10H2,(H,20,23)/t11-/m0/s1.
What are the key properties of (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 678914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).