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

C12H15ClFN3O2 — CID 71054437

IUPACN-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)NCC1=C(Cl)CC(F)C=C1
InChIInChI=1S/C12H15ClFN3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(14)4-9(7)13/h2-3,8,10H,4-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyBSZOSQALXUYJOM-UHFFFAOYSA-N
MW287.72 g/mol
LogP0.92
Rot. Bonds3

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

N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71054437) has the molecular formula C12H15ClFN3O2 and a molecular weight of 287.72 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71054437
Molecular FormulaC12H15ClFN3O2
Molecular Weight287.72 g/mol
Exact Mass287.08
IUPAC NameN-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)NCC1=C(Cl)CC(F)C=C1
InChIInChI=1S/C12H15ClFN3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(14)4-9(7)13/h2-3,8,10H,4-6H2,1H3,(H,15,18)(H,16,19)
InChIKeyBSZOSQALXUYJOM-UHFFFAOYSA-N
XLogP0.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 71054437) is N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NCC1C(=O)NCC1=C(Cl)CC(F)C=C1.
What is the InChIKey of N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is BSZOSQALXUYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O2/c1-17-10(6-16-12(17)19)11(18)15-5-7-2-3-8(14)4-9(7)13/h2-3,8,10H,4-6H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 287.72 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71054437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).