N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide

C26H23FIN3O5 — CID 71080704

IUPACN-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1ccc([C@H]2NC(=O)N(C(Cc3ccccc3OC)C(=O)Nc3ccc(I)cc3F)C2=O)cc1
InChIInChI=1S/C26H23FIN3O5/c1-35-18-10-7-15(8-11-18)23-25(33)31(26(34)30-23)21(13-16-5-3-4-6-22(16)36-2)24(32)29-20-12-9-17(28)14-19(20)27/h3-12,14,21,23H,13H2,1-2H3,(H,29,32)(H,30,34)/t21?,23-/m1/s1
InChIKeyIJLHKKPMLFXKJI-JFGZAKSSSA-N
MW603.39 g/mol
LogP4.29
Rot. Bonds8

About N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide

N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 71080704) has the molecular formula C26H23FIN3O5 and a molecular weight of 603.39 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID71080704
Molecular FormulaC26H23FIN3O5
Molecular Weight603.39 g/mol
Exact Mass603.07
IUPAC NameN-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1ccc([C@H]2NC(=O)N(C(Cc3ccccc3OC)C(=O)Nc3ccc(I)cc3F)C2=O)cc1
InChIInChI=1S/C26H23FIN3O5/c1-35-18-10-7-15(8-11-18)23-25(33)31(26(34)30-23)21(13-16-5-3-4-6-22(16)36-2)24(32)29-20-12-9-17(28)14-19(20)27/h3-12,14,21,23H,13H2,1-2H3,(H,29,32)(H,30,34)/t21?,23-/m1/s1
InChIKeyIJLHKKPMLFXKJI-JFGZAKSSSA-N
XLogP4.29
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 68619325
N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide
CID 68620190
3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 68618416
N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
CID 140518937
3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 68618919
N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide
CID 68618480
(3S)-N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylbutanamide
CID 71080794
(2S,3S)-2-[4-(4-ethoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-phenylbutanamide
CID 68619985
N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 68618814
[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
(3R)-2-[(4R)-4-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-hydroxybutanamide
CID 143528453

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide (CID 71080704) is N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide is COc1ccc([C@H]2NC(=O)N(C(Cc3ccccc3OC)C(=O)Nc3ccc(I)cc3F)C2=O)cc1.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is IJLHKKPMLFXKJI-JFGZAKSSSA-N. The full InChI is InChI=1S/C26H23FIN3O5/c1-35-18-10-7-15(8-11-18)23-25(33)31(26(34)30-23)21(13-16-5-3-4-6-22(16)36-2)24(32)29-20-12-9-17(28)14-19(20)27/h3-12,14,21,23H,13H2,1-2H3,(H,29,32)(H,30,34)/t21?,23-/m1/s1.
What are the key properties of N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 603.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 71080704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).