N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C14H16ClF4N3O2 — CID 71054478

IUPACN-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=CCC(F)C(C(F)(F)F)=C2Cl)N(C)C1=O
InChIInChI=1S/C14H16ClF4N3O2/c1-21-6-9(22(2)13(21)24)12(23)20-5-7-3-4-8(16)10(11(7)15)14(17,18)19/h3,8-9H,4-6H2,1-2H3,(H,20,23)
InChIKeyAYJFABQOJSJVBH-UHFFFAOYSA-N
MW369.75 g/mol
LogP2.19
Rot. Bonds3

About N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71054478) has the molecular formula C14H16ClF4N3O2 and a molecular weight of 369.75 g/mol. Its IUPAC name is N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71054478
Molecular FormulaC14H16ClF4N3O2
Molecular Weight369.75 g/mol
Exact Mass369.09
IUPAC NameN-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCC2=CCC(F)C(C(F)(F)F)=C2Cl)N(C)C1=O
InChIInChI=1S/C14H16ClF4N3O2/c1-21-6-9(22(2)13(21)24)12(23)20-5-7-3-4-8(16)10(11(7)15)14(17,18)19/h3,8-9H,4-6H2,1-2H3,(H,20,23)
InChIKeyAYJFABQOJSJVBH-UHFFFAOYSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 71054437
CID 71054437
CID 71054449
CID 71054449
CID 71054451
CID 71054451
CID 71054452
CID 71054452
CID 71054463
CID 71054463
CID 71054470
CID 71054470
CID 71054525
CID 71054525
CID 89230099
CID 89230099
CID 89230131
CID 89230131
CID 89230191
CID 89230191
CID 89230198
CID 89230198
CID 89230199
CID 89230199

Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71054478) is N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCC2=CCC(F)C(C(F)(F)F)=C2Cl)N(C)C1=O.
What is the InChIKey of N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is AYJFABQOJSJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF4N3O2/c1-21-6-9(22(2)13(21)24)12(23)20-5-7-3-4-8(16)10(11(7)15)14(17,18)19/h3,8-9H,4-6H2,1-2H3,(H,20,23).
What are the key properties of N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 369.75 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-4-fluoro-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71054478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).