N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C19H15ClF3N3O4 — CID 3934765

IUPACN-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C19H15ClF3N3O4/c1-19(10-2-5-12(6-3-10)30-17(22)23)16(28)26(18(29)25-19)9-15(27)24-14-7-4-11(20)8-13(14)21/h2-8,17H,9H2,1H3,(H,24,27)(H,25,29)
InChIKeyILUACQVMSGBQCY-UHFFFAOYSA-N
MW441.79 g/mol
LogP3.49
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3934765) has the molecular formula C19H15ClF3N3O4 and a molecular weight of 441.79 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3934765
Molecular FormulaC19H15ClF3N3O4
Molecular Weight441.79 g/mol
Exact Mass441.07
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C19H15ClF3N3O4/c1-19(10-2-5-12(6-3-10)30-17(22)23)16(28)26(18(29)25-19)9-15(27)24-14-7-4-11(20)8-13(14)21/h2-8,17H,9H2,1H3,(H,24,27)(H,25,29)
InChIKeyILUACQVMSGBQCY-UHFFFAOYSA-N
XLogP3.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3934765) is N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2F)C1=O.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ILUACQVMSGBQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O4/c1-19(10-2-5-12(6-3-10)30-17(22)23)16(28)26(18(29)25-19)9-15(27)24-14-7-4-11(20)8-13(14)21/h2-8,17H,9H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 441.79 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3934765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).