N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide

C15H13ClF3N3O3 — CID 16764290

IUPACN-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESCc1c(Cl)cccc1N1C(=O)NC(NC(=O)C2CC2)(C(F)(F)F)C1=O
InChIInChI=1S/C15H13ClF3N3O3/c1-7-9(16)3-2-4-10(7)22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,20,23)(H,21,25)
InChIKeyNAJDQNIPBOQNFD-UHFFFAOYSA-N
MW375.73 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide

N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (PubChem CID 16764290) has the molecular formula C15H13ClF3N3O3 and a molecular weight of 375.73 g/mol. Its IUPAC name is N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
PubChem CID16764290
Molecular FormulaC15H13ClF3N3O3
Molecular Weight375.73 g/mol
Exact Mass375.06
IUPAC NameN-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESCc1c(Cl)cccc1N1C(=O)NC(NC(=O)C2CC2)(C(F)(F)F)C1=O
InChIInChI=1S/C15H13ClF3N3O3/c1-7-9(16)3-2-4-10(7)22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,20,23)(H,21,25)
InChIKeyNAJDQNIPBOQNFD-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 52.49
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-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (CID 16764290) is N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is Cc1c(Cl)cccc1N1C(=O)NC(NC(=O)C2CC2)(C(F)(F)F)C1=O.
What is the InChIKey of N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The InChIKey is NAJDQNIPBOQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3/c1-7-9(16)3-2-4-10(7)22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)8-5-6-8/h2-4,8H,5-6H2,1H3,(H,20,23)(H,21,25).
What are the key properties of N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide has a molecular weight of 375.73 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 16764290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).