N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide

C14H18FN3O2 — CID 134795808

IUPACN-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide
SMILESCC(C)N1CC(C(=O)NCc2cccc(F)c2)NC1=O
InChIInChI=1S/C14H18FN3O2/c1-9(2)18-8-12(17-14(18)20)13(19)16-7-10-4-3-5-11(15)6-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUDYWDBFMTKVMLE-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.24
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide (PubChem CID 134795808) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide
PubChem CID134795808
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide
SMILESCC(C)N1CC(C(=O)NCc2cccc(F)c2)NC1=O
InChIInChI=1S/C14H18FN3O2/c1-9(2)18-8-12(17-14(18)20)13(19)16-7-10-4-3-5-11(15)6-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyUDYWDBFMTKVMLE-UHFFFAOYSA-N
XLogP1.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide (CID 134795808) is N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide is CC(C)N1CC(C(=O)NCc2cccc(F)c2)NC1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide?
The InChIKey is UDYWDBFMTKVMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-9(2)18-8-12(17-14(18)20)13(19)16-7-10-4-3-5-11(15)6-10/h3-6,9,12H,7-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-oxo-1-propan-2-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 134795808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).