N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C12H14Cl2FN3O2 — CID 89230131

IUPACN-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)NCC1=C(Cl)CC(Cl)C=C1F
InChIInChI=1S/C12H14Cl2FN3O2/c1-18-10(5-17-12(18)20)11(19)16-4-7-8(14)2-6(13)3-9(7)15/h3,6,10H,2,4-5H2,1H3,(H,16,19)(H,17,20)
InChIKeyRLTIWHGASBCTHJ-UHFFFAOYSA-N
MW322.17 g/mol
LogP1.48
Rot. Bonds3

About N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 89230131) has the molecular formula C12H14Cl2FN3O2 and a molecular weight of 322.17 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID89230131
Molecular FormulaC12H14Cl2FN3O2
Molecular Weight322.17 g/mol
Exact Mass321.04
IUPAC NameN-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)NCC1=C(Cl)CC(Cl)C=C1F
InChIInChI=1S/C12H14Cl2FN3O2/c1-18-10(5-17-12(18)20)11(19)16-4-7-8(14)2-6(13)3-9(7)15/h3,6,10H,2,4-5H2,1H3,(H,16,19)(H,17,20)
InChIKeyRLTIWHGASBCTHJ-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 89230131) is N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NCC1C(=O)NCC1=C(Cl)CC(Cl)C=C1F.
What is the InChIKey of N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is RLTIWHGASBCTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FN3O2/c1-18-10(5-17-12(18)20)11(19)16-4-7-8(14)2-6(13)3-9(7)15/h3,6,10H,2,4-5H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 322.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89230131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).