2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

C22H23F2N3O4 — CID 41123926

IUPAC2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C22H23F2N3O4/c1-2-3-13-22(15-7-5-4-6-8-15)19(29)27(21(30)26-22)14-18(28)25-16-9-11-17(12-10-16)31-20(23)24/h4-12,20H,2-3,13-14H2,1H3,(H,25,28)(H,26,30)/t22-/m1/s1
InChIKeyLSRIWGHWJOMXTI-JOCHJYFZSA-N
MW431.44 g/mol
LogP3.86
Rot. Bonds9

About 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 41123926) has the molecular formula C22H23F2N3O4 and a molecular weight of 431.44 g/mol. Its IUPAC name is 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID41123926
Molecular FormulaC22H23F2N3O4
Molecular Weight431.44 g/mol
Exact Mass431.17
IUPAC Name2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C22H23F2N3O4/c1-2-3-13-22(15-7-5-4-6-8-15)19(29)27(21(30)26-22)14-18(28)25-16-9-11-17(12-10-16)31-20(23)24/h4-12,20H,2-3,13-14H2,1H3,(H,25,28)(H,26,30)/t22-/m1/s1
InChIKeyLSRIWGHWJOMXTI-JOCHJYFZSA-N
XLogP3.86
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4081516
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2089932
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2108493
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 3965161
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 24566026
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 24567523
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 5031590
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 41152635
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 24683758
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 55326957

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 41123926) is 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is LSRIWGHWJOMXTI-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23F2N3O4/c1-2-3-13-22(15-7-5-4-6-8-15)19(29)27(21(30)26-22)14-18(28)25-16-9-11-17(12-10-16)31-20(23)24/h4-12,20H,2-3,13-14H2,1H3,(H,25,28)(H,26,30)/t22-/m1/s1.
What are the key properties of 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 431.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 41123926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).