N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide

C14H16BrN3O2 — CID 71877916

IUPACN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)N(Cc2cccc(Br)c2)C2CC2)N1
InChIInChI=1S/C14H16BrN3O2/c15-10-3-1-2-9(6-10)8-18(11-4-5-11)13(19)12-7-16-14(20)17-12/h1-3,6,11-12H,4-5,7-8H2,(H2,16,17,20)
InChIKeyICVGKSOBFPAPIZ-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.62
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide

N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71877916) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71877916
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)N(Cc2cccc(Br)c2)C2CC2)N1
InChIInChI=1S/C14H16BrN3O2/c15-10-3-1-2-9(6-10)8-18(11-4-5-11)13(19)12-7-16-14(20)17-12/h1-3,6,11-12H,4-5,7-8H2,(H2,16,17,20)
InChIKeyICVGKSOBFPAPIZ-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide (CID 71877916) is N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)N(Cc2cccc(Br)c2)C2CC2)N1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is ICVGKSOBFPAPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-10-3-1-2-9(6-10)8-18(11-4-5-11)13(19)12-7-16-14(20)17-12/h1-3,6,11-12H,4-5,7-8H2,(H2,16,17,20).
What are the key properties of N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide?
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71877916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).