2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide

C20H28FN3O3 — CID 7620481

IUPAC2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O
InChIInChI=1S/C20H28FN3O3/c1-5-6-11-20(15-7-9-16(21)10-8-15)18(26)24(19(27)23-20)12-17(25)22-14(4)13(2)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,25)(H,23,27)/t14-,20+/m1/s1
InChIKeyHBCTVGXOLOOICU-VLIAUNLRSA-N
MW377.46 g/mol
LogP2.92
Rot. Bonds8

About 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide

2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 7620481) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID7620481
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O
InChIInChI=1S/C20H28FN3O3/c1-5-6-11-20(15-7-9-16(21)10-8-15)18(26)24(19(27)23-20)12-17(25)22-14(4)13(2)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,25)(H,23,27)/t14-,20+/m1/s1
InChIKeyHBCTVGXOLOOICU-VLIAUNLRSA-N
XLogP2.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.92
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-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7620682
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42898744
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567523
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-6-methylheptan-2-yl]acetamide
CID 8571329
(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 7620481) is 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide is CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H](C)C(C)C)C1=O.
What is the InChIKey of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is HBCTVGXOLOOICU-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-5-6-11-20(15-7-9-16(21)10-8-15)18(26)24(19(27)23-20)12-17(25)22-14(4)13(2)3/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,25)(H,23,27)/t14-,20+/m1/s1.
What are the key properties of 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 377.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7620481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).