N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

C21H21ClFN3O3 — CID 55327744

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C21H21ClFN3O3/c1-12(2)13-4-6-14(7-5-13)21(3)19(28)26(20(29)25-21)11-18(27)24-15-8-9-17(23)16(22)10-15/h4-10,12H,11H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyIGDZEINRPMKLCM-UHFFFAOYSA-N
MW417.87 g/mol
LogP4.01
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (PubChem CID 55327744) has the molecular formula C21H21ClFN3O3 and a molecular weight of 417.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
PubChem CID55327744
Molecular FormulaC21H21ClFN3O3
Molecular Weight417.87 g/mol
Exact Mass417.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
SMILESCC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1
InChIInChI=1S/C21H21ClFN3O3/c1-12(2)13-4-6-14(7-5-13)21(3)19(28)26(20(29)25-21)11-18(27)24-15-8-9-17(23)16(22)10-15/h4-10,12H,11H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyIGDZEINRPMKLCM-UHFFFAOYSA-N
XLogP4.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 4214457
N-(4-bromo-3-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 46816684
N-(4-butan-2-ylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3501889
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 7595754
N-(4-tert-butylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595762
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595738
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 7595882
N-(3-acetylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595727
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40857215
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 41167125
N-(4-cyanophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 112788599
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2488720

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide (CID 55327744) is N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is CC(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
The InChIKey is IGDZEINRPMKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O3/c1-12(2)13-4-6-14(7-5-13)21(3)19(28)26(20(29)25-21)11-18(27)24-15-8-9-17(23)16(22)10-15/h4-10,12H,11H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide has a molecular weight of 417.87 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 55327744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).