N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide

C10H11Br2N3O2 — CID 114022873

IUPACN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
SMILESCC(NC(=O)c1cc(Br)cc(Br)c1)/C(N)=N/O
InChIInChI=1S/C10H11Br2N3O2/c1-5(9(13)15-17)14-10(16)6-2-7(11)4-8(12)3-6/h2-5,17H,1H3,(H2,13,15)(H,14,16)
InChIKeyWEVYVFLFYGCPHM-UHFFFAOYSA-N
MW365.03 g/mol
LogP2.08
Rot. Bonds3

About N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide (PubChem CID 114022873) has the molecular formula C10H11Br2N3O2 and a molecular weight of 365.03 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
PubChem CID114022873
Molecular FormulaC10H11Br2N3O2
Molecular Weight365.03 g/mol
Exact Mass362.92
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
SMILESCC(NC(=O)c1cc(Br)cc(Br)c1)/C(N)=N/O
InChIInChI=1S/C10H11Br2N3O2/c1-5(9(13)15-17)14-10(16)6-2-7(11)4-8(12)3-6/h2-5,17H,1H3,(H2,13,15)(H,14,16)
InChIKeyWEVYVFLFYGCPHM-UHFFFAOYSA-N
XLogP2.08
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.03
LogP ≤ 52.08
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

3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-methylfuran-3-carboxamide
CID 104979012
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79997188
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide
CID 114022621
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromo-5-(trifluoromethyl)benzamide
CID 171390349
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-chlorofuran-2-carboxamide
CID 106689262

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide (CID 114022873) is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide is CC(NC(=O)c1cc(Br)cc(Br)c1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide?
The InChIKey is WEVYVFLFYGCPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3O2/c1-5(9(13)15-17)14-10(16)6-2-7(11)4-8(12)3-6/h2-5,17H,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide?
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide has a molecular weight of 365.03 g/mol, XLogP of 2.08, 3 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-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide is sourced from PubChem (CID 114022873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).