1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide

C12H13Br2N3O2 — CID 114375250

IUPAC1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2N3O2/c13-7-3-4-9(14)8(6-7)12(18)17-5-1-2-10(17)11(15)16-19/h3-4,6,10,19H,1-2,5H2,(H2,15,16)
InChIKeyYWRRJIGFAHOVCZ-UHFFFAOYSA-N
MW391.06 g/mol
LogP2.56
Rot. Bonds2

About 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide

1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 114375250) has the molecular formula C12H13Br2N3O2 and a molecular weight of 391.06 g/mol. Its IUPAC name is 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID114375250
Molecular FormulaC12H13Br2N3O2
Molecular Weight391.06 g/mol
Exact Mass388.94
IUPAC Name1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESN/C(=N/O)C1CCCN1C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H13Br2N3O2/c13-7-3-4-9(14)8(6-7)12(18)17-5-1-2-10(17)11(15)16-19/h3-4,6,10,19H,1-2,5H2,(H2,15,16)
InChIKeyYWRRJIGFAHOVCZ-UHFFFAOYSA-N
XLogP2.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-hydroxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107730090
1-(2-bromo-5-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041668
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
(2,5-dibromophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104916302
[2-(chloromethyl)pyrrolidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114375617
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
1-(4-bromo-3-chlorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 81307263
(2R)-1-(5-amino-2-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 113281253
1-(2,3-dihydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 114345186
[2-(2-aminoethyl)piperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114374400
1-(4-fluoro-2-hydroxybenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 107016253
N'-hydroxy-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboximidamide
CID 77036206

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide (CID 114375250) is 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide is N/C(=N/O)C1CCCN1C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is YWRRJIGFAHOVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3O2/c13-7-3-4-9(14)8(6-7)12(18)17-5-1-2-10(17)11(15)16-19/h3-4,6,10,19H,1-2,5H2,(H2,15,16).
What are the key properties of 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide?
1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 391.06 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromobenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 114375250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).