(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide

C19H19IN2O2 — CID 1102168

IUPAC(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1
InChIInChI=1S/C19H19IN2O2/c1-2-13-7-9-15(10-8-13)22-12-14(11-18(22)23)19(24)21-17-6-4-3-5-16(17)20/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyJBKJXFWPHMJDJY-AWEZNQCLSA-N
MW434.28 g/mol
LogP3.85
Rot. Bonds4

About (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 1102168) has the molecular formula C19H19IN2O2 and a molecular weight of 434.28 g/mol. Its IUPAC name is (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID1102168
Molecular FormulaC19H19IN2O2
Molecular Weight434.28 g/mol
Exact Mass434.05
IUPAC Name(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1
InChIInChI=1S/C19H19IN2O2/c1-2-13-7-9-15(10-8-13)22-12-14(11-18(22)23)19(24)21-17-6-4-3-5-16(17)20/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyJBKJXFWPHMJDJY-AWEZNQCLSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43063969
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-ethylphenyl)-5-oxo-N-[2-(triazol-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 112827657
1-(3,4-dimethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2948276
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657
N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082103
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390159
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
(3S)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715031
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
(3R)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715027

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide (CID 1102168) is (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3I)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JBKJXFWPHMJDJY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19IN2O2/c1-2-13-7-9-15(10-8-13)22-12-14(11-18(22)23)19(24)21-17-6-4-3-5-16(17)20/h3-10,14H,2,11-12H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 434.28 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 1102168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).