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

C14H17Cl2F2N3O2 — CID 89230191

IUPACN-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=C(Cl)CC(Cl)C=C2)N(CC(F)F)C1=O
InChIInChI=1S/C14H17Cl2F2N3O2/c1-20-6-11(21(14(20)23)7-12(17)18)13(22)19-5-8-2-3-9(15)4-10(8)16/h2-3,9,11-12H,4-7H2,1H3,(H,19,22)
InChIKeyIUCHHYUTBWMCHL-UHFFFAOYSA-N
MW368.21 g/mol
LogP2.16
Rot. Bonds5

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

N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 89230191) has the molecular formula C14H17Cl2F2N3O2 and a molecular weight of 368.21 g/mol. Its IUPAC name is N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID89230191
Molecular FormulaC14H17Cl2F2N3O2
Molecular Weight368.21 g/mol
Exact Mass367.07
IUPAC NameN-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=C(Cl)CC(Cl)C=C2)N(CC(F)F)C1=O
InChIInChI=1S/C14H17Cl2F2N3O2/c1-20-6-11(21(14(20)23)7-12(17)18)13(22)19-5-8-2-3-9(15)4-10(8)16/h2-3,9,11-12H,4-7H2,1H3,(H,19,22)
InChIKeyIUCHHYUTBWMCHL-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054437
N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054449
N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054451
N-[[4-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054452
N-[[2-fluoro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 71054463
N-[[2-chloro-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
CID 71054470
N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71054478
N-[[4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71054525
N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 89230099
N-[(2,4-dichloro-6-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 89230131
N-[(2,3-dichloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 89230198
N-[[4-chloro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 89230199

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 89230191) is N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCC2=C(Cl)CC(Cl)C=C2)N(CC(F)F)C1=O.
What is the InChIKey of N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is IUCHHYUTBWMCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2F2N3O2/c1-20-6-11(21(14(20)23)7-12(17)18)13(22)19-5-8-2-3-9(15)4-10(8)16/h2-3,9,11-12H,4-7H2,1H3,(H,19,22).
What are the key properties of N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 368.21 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorocyclohexa-1,5-dien-1-yl)methyl]-3-(2,2-difluoroethyl)-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89230191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).