2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

C12H8Cl2F3N3O3 — CID 3934217

IUPAC2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCN1C(=O)NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O
InChIInChI=1S/C12H8Cl2F3N3O3/c1-20-9(22)11(12(15,16)17,19-10(20)23)18-8(21)6-3-2-5(13)4-7(6)14/h2-4H,1H3,(H,18,21)(H,19,23)
InChIKeyFEOYCFKIGVXVIR-UHFFFAOYSA-N
MW370.11 g/mol
LogP2.16
Rot. Bonds2

About 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide

2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (PubChem CID 3934217) has the molecular formula C12H8Cl2F3N3O3 and a molecular weight of 370.11 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
PubChem CID3934217
Molecular FormulaC12H8Cl2F3N3O3
Molecular Weight370.11 g/mol
Exact Mass368.99
IUPAC Name2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
SMILESCN1C(=O)NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O
InChIInChI=1S/C12H8Cl2F3N3O3/c1-20-9(22)11(12(15,16)17,19-10(20)23)18-8(21)6-3-2-5(13)4-7(6)14/h2-4H,1H3,(H,18,21)(H,19,23)
InChIKeyFEOYCFKIGVXVIR-UHFFFAOYSA-N
XLogP2.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.11
LogP ≤ 52.16
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

N-[(4S)-1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-chlorobenzamide
CID 7236136
4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3748507
2,4-dichloro-N-[2-(4-methylphenyl)-5-oxo-4-(trifluoromethyl)-1H-imidazol-4-yl]benzamide
CID 3919066
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7291568
4-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3785162
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
N-[(4S)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 41091994
N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 2021966
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
N-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7632065
4-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7012719

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide (CID 3934217) is 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is CN1C(=O)NC(NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C1=O.
What is the InChIKey of 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
The InChIKey is FEOYCFKIGVXVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3O3/c1-20-9(22)11(12(15,16)17,19-10(20)23)18-8(21)6-3-2-5(13)4-7(6)14/h2-4H,1H3,(H,18,21)(H,19,23).
What are the key properties of 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide?
2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide has a molecular weight of 370.11 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide is sourced from PubChem (CID 3934217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).