N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C15H15ClF3N3O3 — CID 9119833

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1=O
InChIInChI=1S/C15H15ClF3N3O3/c1-14(2)12(24)22(13(25)21-14)6-5-11(23)20-10-7-8(15(17,18)19)3-4-9(10)16/h3-4,7H,5-6H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXHVGWAYWFPMLDE-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.02
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 9119833) has the molecular formula C15H15ClF3N3O3 and a molecular weight of 377.75 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID9119833
Molecular FormulaC15H15ClF3N3O3
Molecular Weight377.75 g/mol
Exact Mass377.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1=O
InChIInChI=1S/C15H15ClF3N3O3/c1-14(2)12(24)22(13(25)21-14)6-5-11(23)20-10-7-8(15(17,18)19)3-4-9(10)16/h3-4,7H,5-6H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXHVGWAYWFPMLDE-UHFFFAOYSA-N
XLogP3.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 9119833) is N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1=O.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is XHVGWAYWFPMLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3/c1-14(2)12(24)22(13(25)21-14)6-5-11(23)20-10-7-8(15(17,18)19)3-4-9(10)16/h3-4,7H,5-6H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 377.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 9119833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).