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

C14H19ClFN3O2 — CID 71054451

IUPACN-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)N(C)CC1C(=O)NCC1=C(Cl)CC(F)C=C1
InChIInChI=1S/C14H19ClFN3O2/c1-3-19-12(8-18(2)14(19)21)13(20)17-7-9-4-5-10(16)6-11(9)15/h4-5,10,12H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyRTKJGDGVIOOXAP-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.65
Rot. Bonds4

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

N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71054451) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71054451
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)N(C)CC1C(=O)NCC1=C(Cl)CC(F)C=C1
InChIInChI=1S/C14H19ClFN3O2/c1-3-19-12(8-18(2)14(19)21)13(20)17-7-9-4-5-10(16)6-11(9)15/h4-5,10,12H,3,6-8H2,1-2H3,(H,17,20)
InChIKeyRTKJGDGVIOOXAP-UHFFFAOYSA-N
XLogP1.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.65
H-Bond Donors ≤ 51
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-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 71054451) is N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide is CCN1C(=O)N(C)CC1C(=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-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is RTKJGDGVIOOXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O2/c1-3-19-12(8-18(2)14(19)21)13(20)17-7-9-4-5-10(16)6-11(9)15/h4-5,10,12H,3,6-8H2,1-2H3,(H,17,20).
What are the key properties of N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide?
N-[(2-chloro-4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 315.78 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 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-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71054451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).