N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

C19H15Cl2F3N4O3 — CID 46484653

IUPACN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCc1c(Cl)cnc(NC(=O)CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)c1Cl
InChIInChI=1S/C19H15Cl2F3N4O3/c1-9-12(20)7-25-15(14(9)21)26-13(29)8-28-16(30)18(2,27-17(28)31)10-4-3-5-11(6-10)19(22,23)24/h3-7H,8H2,1-2H3,(H,27,31)(H,25,26,29)
InChIKeyINNWJCNOPQHPFO-UHFFFAOYSA-N
MW475.25 g/mol
LogP4.12
Rot. Bonds4

About N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide

N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (PubChem CID 46484653) has the molecular formula C19H15Cl2F3N4O3 and a molecular weight of 475.25 g/mol. Its IUPAC name is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
PubChem CID46484653
Molecular FormulaC19H15Cl2F3N4O3
Molecular Weight475.25 g/mol
Exact Mass474.05
IUPAC NameN-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
SMILESCc1c(Cl)cnc(NC(=O)CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)c1Cl
InChIInChI=1S/C19H15Cl2F3N4O3/c1-9-12(20)7-25-15(14(9)21)26-13(29)8-28-16(30)18(2,27-17(28)31)10-4-3-5-11(6-10)19(22,23)24/h3-7H,8H2,1-2H3,(H,27,31)(H,25,26,29)
InChIKeyINNWJCNOPQHPFO-UHFFFAOYSA-N
XLogP4.12
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.25
LogP ≤ 54.12
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-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide (CID 46484653) is N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is Cc1c(Cl)cnc(NC(=O)CN2C(=O)NC(C)(c3cccc(C(F)(F)F)c3)C2=O)c1Cl.
What is the InChIKey of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
The InChIKey is INNWJCNOPQHPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F3N4O3/c1-9-12(20)7-25-15(14(9)21)26-13(29)8-28-16(30)18(2,27-17(28)31)10-4-3-5-11(6-10)19(22,23)24/h3-7H,8H2,1-2H3,(H,27,31)(H,25,26,29).
What are the key properties of N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide?
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide has a molecular weight of 475.25 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 46484653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).