N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide

C19H24FN3O2 — CID 71784663

IUPACN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)N1CCNC1=O)C1CC=CCC1
InChIInChI=1S/C19H24FN3O2/c20-16-8-4-5-14(11-16)12-17(23-10-9-21-19(23)25)13-22-18(24)15-6-2-1-3-7-15/h1-2,4-5,8,11,15,17H,3,6-7,9-10,12-13H2,(H,21,25)(H,22,24)
InChIKeyKNESCDOKEHXUGW-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.23
Rot. Bonds6

About N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide

N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71784663) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide
PubChem CID71784663
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC(Cc1cccc(F)c1)N1CCNC1=O)C1CC=CCC1
InChIInChI=1S/C19H24FN3O2/c20-16-8-4-5-14(11-16)12-17(23-10-9-21-19(23)25)13-22-18(24)15-6-2-1-3-7-15/h1-2,4-5,8,11,15,17H,3,6-7,9-10,12-13H2,(H,21,25)(H,22,24)
InChIKeyKNESCDOKEHXUGW-UHFFFAOYSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide (CID 71784663) is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide is O=C(NCC(Cc1cccc(F)c1)N1CCNC1=O)C1CC=CCC1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is KNESCDOKEHXUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-16-8-4-5-14(11-16)12-17(23-10-9-21-19(23)25)13-22-18(24)15-6-2-1-3-7-15/h1-2,4-5,8,11,15,17H,3,6-7,9-10,12-13H2,(H,21,25)(H,22,24).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide?
N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71784663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).