(3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen

C19H24F2N2O2 — CID 154673368

IUPAC(3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen
SMILESC=C(/C=C(\C)C(C)(C)F)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccccc1F.[H][H]
InChIInChI=1S/C19H22F2N2O2.H2/c1-11(9-12(2)19(3,4)21)13-10-22-17(24)16(13)18(25)23-15-8-6-5-7-14(15)20;/h5-9,13,16H,1,10H2,2-4H3,(H,22,24)(H,23,25);1H/b12-9+;/t13-,16-;/m1./s1
InChIKeyBLRNOSBCBOLJTB-XEWKCTHQSA-N
MW350.41 g/mol
LogP3.62
Rot. Bonds5

About (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen

(3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen (PubChem CID 154673368) has the molecular formula C19H24F2N2O2 and a molecular weight of 350.41 g/mol. Its IUPAC name is (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen
PubChem CID154673368
Molecular FormulaC19H24F2N2O2
Molecular Weight350.41 g/mol
Exact Mass350.18
IUPAC Name(3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen
SMILESC=C(/C=C(\C)C(C)(C)F)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccccc1F.[H][H]
InChIInChI=1S/C19H22F2N2O2.H2/c1-11(9-12(2)19(3,4)21)13-10-22-17(24)16(13)18(25)23-15-8-6-5-7-14(15)20;/h5-9,13,16H,1,10H2,2-4H3,(H,22,24)(H,23,25);1H/b12-9+;/t13-,16-;/m1./s1
InChIKeyBLRNOSBCBOLJTB-XEWKCTHQSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3S,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-2-oxopyrrolidine-3-carboxamide
CID 154673401
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134411870
trans-(1R,2R)-1-N,2-N-bis(2-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 828858
(3R,4S)-4-[3-(1,1-difluoroethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411708
N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
CID 138460839
N'-(2-fluorophenyl)-4-hydroxy-2-oxopyrrolidine-3-carbohydrazide
CID 142448524
(3R,4S)-4-(3,4-dihydro-2H-chromen-6-yl)-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411803
(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87995082
(3S,4S)-4-[(1E)-3-bromo-1-chloro-1-(dimethylamino)buta-1,3-dien-2-yl]-N-(2-fluorophenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 155055069
(3R,4S)-4-(3,5-dimethylphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411830
(3R,4R)-N-(2,3-difluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134412252

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen?
The IUPAC name of (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen (CID 154673368) is (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen?
The canonical SMILES for (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen is C=C(/C=C(\C)C(C)(C)F)[C@H]1CNC(=O)[C@@H]1C(=O)Nc1ccccc1F.[H][H].
What is the InChIKey of (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen?
The InChIKey is BLRNOSBCBOLJTB-XEWKCTHQSA-N. The full InChI is InChI=1S/C19H22F2N2O2.H2/c1-11(9-12(2)19(3,4)21)13-10-22-17(24)16(13)18(25)23-15-8-6-5-7-14(15)20;/h5-9,13,16H,1,10H2,2-4H3,(H,22,24)(H,23,25);1H/b12-9+;/t13-,16-;/m1./s1.
What are the key properties of (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen?
(3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen has a molecular weight of 350.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 154673368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).