N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide

C11H13Br2N3O2 — CID 114375216

IUPACN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide
SMILESCCC(NC(=O)c1cc(Br)ccc1Br)/C(N)=N/O
InChIInChI=1S/C11H13Br2N3O2/c1-2-9(10(14)16-18)15-11(17)7-5-6(12)3-4-8(7)13/h3-5,9,18H,2H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXVWVFSPKLKFUHM-UHFFFAOYSA-N
MW379.05 g/mol
LogP2.47
Rot. Bonds4

About N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide

N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide (PubChem CID 114375216) has the molecular formula C11H13Br2N3O2 and a molecular weight of 379.05 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide
PubChem CID114375216
Molecular FormulaC11H13Br2N3O2
Molecular Weight379.05 g/mol
Exact Mass376.94
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide
SMILESCCC(NC(=O)c1cc(Br)ccc1Br)/C(N)=N/O
InChIInChI=1S/C11H13Br2N3O2/c1-2-9(10(14)16-18)15-11(17)7-5-6(12)3-4-8(7)13/h3-5,9,18H,2H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXVWVFSPKLKFUHM-UHFFFAOYSA-N
XLogP2.47
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.05
LogP ≤ 52.47
H-Bond Donors ≤ 53
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

N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-bromo-5-methylbenzamide
CID 81117216
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-4-bromo-3-chlorobenzamide
CID 81307814
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
N-(1-amino-1-hydroxyiminobutan-2-yl)-5-fluoro-2-methylbenzamide
CID 76986011
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2-fluoro-5-methylbenzamide
CID 62509807
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 114021714
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
(2R)-2-[(2,5-dibromobenzoyl)amino]-4-methylpentanoic acid
CID 104916277
2-[(2,5-dibromobenzoyl)amino]pentanedioic acid
CID 114367907
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2,5-dibromo-N-methylbenzamide
CID 114375237
N'-hydroxy-2-(2,4,6-tribromoanilino)butanimidamide
CID 77029373
2,5-dibromo-N-carbamoylbenzamide
CID 114375953

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide (CID 114375216) is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide is CCC(NC(=O)c1cc(Br)ccc1Br)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide?
The InChIKey is XVWVFSPKLKFUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N3O2/c1-2-9(10(14)16-18)15-11(17)7-5-6(12)3-4-8(7)13/h3-5,9,18H,2H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide?
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide has a molecular weight of 379.05 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide is sourced from PubChem (CID 114375216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).