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

C25H20ClFIN3O4 — CID 68618416

IUPAC3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1ccc(C2NC(=O)N(C(Cc3ccc(Cl)cc3)C(=O)Nc3ccc(I)cc3F)C2=O)cc1
InChIInChI=1S/C25H20ClFIN3O4/c1-35-18-9-4-15(5-10-18)22-24(33)31(25(34)30-22)21(12-14-2-6-16(26)7-3-14)23(32)29-20-11-8-17(28)13-19(20)27/h2-11,13,21-22H,12H2,1H3,(H,29,32)(H,30,34)
InChIKeyDVXICEBECKZRQK-UHFFFAOYSA-N
MW607.81 g/mol
LogP4.94
Rot. Bonds7

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

3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 68618416) has the molecular formula C25H20ClFIN3O4 and a molecular weight of 607.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID68618416
Molecular FormulaC25H20ClFIN3O4
Molecular Weight607.81 g/mol
Exact Mass607.02
IUPAC Name3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCOc1ccc(C2NC(=O)N(C(Cc3ccc(Cl)cc3)C(=O)Nc3ccc(I)cc3F)C2=O)cc1
InChIInChI=1S/C25H20ClFIN3O4/c1-35-18-9-4-15(5-10-18)22-24(33)31(25(34)30-22)21(12-14-2-6-16(26)7-3-14)23(32)29-20-11-8-17(28)13-19(20)27/h2-11,13,21-22H,12H2,1H3,(H,29,32)(H,30,34)
InChIKeyDVXICEBECKZRQK-UHFFFAOYSA-N
XLogP4.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.81
LogP ≤ 54.94
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'}

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Related Compounds

N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-(4-methylphenyl)propanamide
CID 68620190
N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 68619325
N-(2-fluoro-4-iodophenyl)-3-(2-methoxyphenyl)-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide
CID 71080704
N-(4-cyclopropyl-2-fluorophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-(4-methoxyphenyl)propanamide
CID 68618480
N-(2-chloro-4-iodophenyl)-2-[4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 68618814
(2S)-3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-hydroxy-5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]propanamide
CID 91410628
3-cyclopropyl-N-(2-fluoro-4-iodophenyl)-2-[4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]propanamide
CID 68618919
N-(2-fluoro-4-iodophenyl)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-4-phenylbutanamide
CID 140518937
(3R)-2-[(4R)-4-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-iodophenyl)-3-hydroxybutanamide
CID 143528453
(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-methylphenyl)-2-[(4R)-4-[4-(2-methoxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenylpropanamide
CID 143528439

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide (CID 68618416) is 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide is COc1ccc(C2NC(=O)N(C(Cc3ccc(Cl)cc3)C(=O)Nc3ccc(I)cc3F)C2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is DVXICEBECKZRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFIN3O4/c1-35-18-9-4-15(5-10-18)22-24(33)31(25(34)30-22)21(12-14-2-6-16(26)7-3-14)23(32)29-20-11-8-17(28)13-19(20)27/h2-11,13,21-22H,12H2,1H3,(H,29,32)(H,30,34).
What are the key properties of 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 607.81 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-2-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 68618416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).