N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C13H17Cl2N3O2 — CID 89230197

IUPACN-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=C(Cl)C(Cl)CC=C2)N(C)C1=O
InChIInChI=1S/C13H17Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-4,9-10H,5-7H2,1-2H3,(H,16,19)
InChIKeyRUWCUYIWGWPZAB-UHFFFAOYSA-N
MW318.20 g/mol
LogP1.53
Rot. Bonds3

About N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 89230197) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID89230197
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=C(Cl)C(Cl)CC=C2)N(C)C1=O
InChIInChI=1S/C13H17Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-4,9-10H,5-7H2,1-2H3,(H,16,19)
InChIKeyRUWCUYIWGWPZAB-UHFFFAOYSA-N
XLogP1.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
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-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 89230197) is N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCC2=C(Cl)C(Cl)CC=C2)N(C)C1=O.
What is the InChIKey of N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is RUWCUYIWGWPZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-17-7-10(18(2)13(17)20)12(19)16-6-8-4-3-5-9(14)11(8)15/h3-4,9-10H,5-7H2,1-2H3,(H,16,19).
What are the key properties of N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89230197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).