(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide

C26H22Cl2N2O3 — CID 158402213

IUPAC(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22Cl2N2O3/c27-20-10-6-19(22(28)16-20)9-14-24(31)23-13-15-25(32)30(23)26(33)29-21-11-7-18(8-12-21)17-4-2-1-3-5-17/h1-8,10-12,16,23H,9,13-15H2,(H,29,33)/t23-/m0/s1
InChIKeyQQSCSEWSCQCHHD-QHCPKHFHSA-N
MW481.38 g/mol
LogP6.39
Rot. Bonds6

About (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide

(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide (PubChem CID 158402213) has the molecular formula C26H22Cl2N2O3 and a molecular weight of 481.38 g/mol. Its IUPAC name is (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide
PubChem CID158402213
Molecular FormulaC26H22Cl2N2O3
Molecular Weight481.38 g/mol
Exact Mass480.10
IUPAC Name(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide
SMILESO=C(CCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22Cl2N2O3/c27-20-10-6-19(22(28)16-20)9-14-24(31)23-13-15-25(32)30(23)26(33)29-21-11-7-18(8-12-21)17-4-2-1-3-5-17/h1-8,10-12,16,23H,9,13-15H2,(H,29,33)/t23-/m0/s1
InChIKeyQQSCSEWSCQCHHD-QHCPKHFHSA-N
XLogP6.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-2-[4-(2,4-dichlorophenyl)butanoyl]-5-oxopyrrolidine-1-carboxamide
CID 159682007
(2S)-1-N,2-N-bis[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551537
2-N-[(2,4-dichlorophenyl)methyl]-1-N-(2-methylphenyl)-5-oxopyrrolidine-1,2-dicarboxamide
CID 139551398
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
3-(2-hydroxy-5-oxopyrrolidin-1-yl)-N-(4-phenylphenyl)propanamide
CID 176994034
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606713
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide (CID 158402213) is (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide is O=C(CCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is QQSCSEWSCQCHHD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H22Cl2N2O3/c27-20-10-6-19(22(28)16-20)9-14-24(31)23-13-15-25(32)30(23)26(33)29-21-11-7-18(8-12-21)17-4-2-1-3-5-17/h1-8,10-12,16,23H,9,13-15H2,(H,29,33)/t23-/m0/s1.
What are the key properties of (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide?
(2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 481.38 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,4-dichlorophenyl)propanoyl]-5-oxo-N-(4-phenylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 158402213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).