(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide

C27H25FIN3O4 — CID 68619985

IUPAC(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide
SMILESCCOc1ccc(C2NC(=O)N([C@H](C(=O)Nc3ccc(I)cc3F)[C@@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H25FIN3O4/c1-3-36-20-12-9-18(10-13-20)23-26(34)32(27(35)31-23)24(16(2)17-7-5-4-6-8-17)25(33)30-22-14-11-19(29)15-21(22)28/h4-16,23-24H,3H2,1-2H3,(H,30,33)(H,31,35)/t16-,23?,24-/m0/s1
InChIKeyIEBLSDHQZBSIRC-VHWFRIBGSA-N
MW601.42 g/mol
LogP5.23
Rot. Bonds8

About (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide

(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide (PubChem CID 68619985) has the molecular formula C27H25FIN3O4 and a molecular weight of 601.42 g/mol. Its IUPAC name is (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide
PubChem CID68619985
Molecular FormulaC27H25FIN3O4
Molecular Weight601.42 g/mol
Exact Mass601.09
IUPAC Name(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide
SMILESCCOc1ccc(C2NC(=O)N([C@H](C(=O)Nc3ccc(I)cc3F)[C@@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C27H25FIN3O4/c1-3-36-20-12-9-18(10-13-20)23-26(34)32(27(35)31-23)24(16(2)17-7-5-4-6-8-17)25(33)30-22-14-11-19(29)15-21(22)28/h4-16,23-24H,3H2,1-2H3,(H,30,33)(H,31,35)/t16-,23?,24-/m0/s1
InChIKeyIEBLSDHQZBSIRC-VHWFRIBGSA-N
XLogP5.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.42
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide 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

(3S)-N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 71080794
[4-[(4R)-1-[(2S,3R)-1-(2-fluoro-4-iodoanilino)-1-oxo-3-phenylbutan-2-yl]-2,5-dioxoimidazolidin-4-yl]phenoxy]methylphosphonic acid
CID 68618483
N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 140518952
(2S,3S)-2-[(4R)-4-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide
CID 68619858
(3S)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(4-iodo-2-methylphenyl)-3-phenylbutanamide
CID 71080775
(3S)-N-(2-chloro-4-iodophenyl)-2-[(4R)-4-[4-[(2R)-2-hydroxypropoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 71080722
N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-(3-hydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 143528380
(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2,3-dihydroxypropoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 68620200
(2R,3S)-N-(4-ethynyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 87654596
N-(2-chloro-4-iodophenyl)-2-[(4R)-4-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 140518998
(2S,3S)-N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 68620152
ethane;N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 143528401

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide?
The IUPAC name of (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide (CID 68619985) is (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide.
What is the SMILES notation for (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide?
The canonical SMILES for (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide is CCOc1ccc(C2NC(=O)N([C@H](C(=O)Nc3ccc(I)cc3F)[C@@H](C)c3ccccc3)C2=O)cc1.
What is the InChIKey of (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide?
The InChIKey is IEBLSDHQZBSIRC-VHWFRIBGSA-N. The full InChI is InChI=1S/C27H25FIN3O4/c1-3-36-20-12-9-18(10-13-20)23-26(34)32(27(35)31-23)24(16(2)17-7-5-4-6-8-17)25(33)30-22-14-11-19(29)15-21(22)28/h4-16,23-24H,3H2,1-2H3,(H,30,33)(H,31,35)/t16-,23?,24-/m0/s1.
What are the key properties of (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide?
(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide has a molecular weight of 601.42 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide is sourced from PubChem (CID 68619985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).