N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C11H11BrFN3O2 — CID 71877841

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NCc2cc(F)cc(Br)c2)N1
InChIInChI=1S/C11H11BrFN3O2/c12-7-1-6(2-8(13)3-7)4-14-10(17)9-5-15-11(18)16-9/h1-3,9H,4-5H2,(H,14,17)(H2,15,16,18)
InChIKeyUTFZJLMUOGXWHO-UHFFFAOYSA-N
MW316.13 g/mol
LogP0.89
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 71877841) has the molecular formula C11H11BrFN3O2 and a molecular weight of 316.13 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID71877841
Molecular FormulaC11H11BrFN3O2
Molecular Weight316.13 g/mol
Exact Mass315.00
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NCc2cc(F)cc(Br)c2)N1
InChIInChI=1S/C11H11BrFN3O2/c12-7-1-6(2-8(13)3-7)4-14-10(17)9-5-15-11(18)16-9/h1-3,9H,4-5H2,(H,14,17)(H2,15,16,18)
InChIKeyUTFZJLMUOGXWHO-UHFFFAOYSA-N
XLogP0.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.13
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 71877841) is N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)NCc2cc(F)cc(Br)c2)N1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UTFZJLMUOGXWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2/c12-7-1-6(2-8(13)3-7)4-14-10(17)9-5-15-11(18)16-9/h1-3,9H,4-5H2,(H,14,17)(H2,15,16,18).
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 316.13 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71877841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).