N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide

C12H15BrClN3O2 — CID 107992517

IUPACN-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)c(Br)c1)/C(N)=N/O
InChIInChI=1S/C12H15BrClN3O2/c1-6(2)10(11(15)17-19)16-12(18)7-3-4-9(14)8(13)5-7/h3-6,10,19H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyOPIQWTDSVFQWPM-UHFFFAOYSA-N
MW348.63 g/mol
LogP2.60
Rot. Bonds4

About N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide

N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide (PubChem CID 107992517) has the molecular formula C12H15BrClN3O2 and a molecular weight of 348.63 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
PubChem CID107992517
Molecular FormulaC12H15BrClN3O2
Molecular Weight348.63 g/mol
Exact Mass347.00
IUPAC NameN-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
SMILESCC(C)C(NC(=O)c1ccc(Cl)c(Br)c1)/C(N)=N/O
InChIInChI=1S/C12H15BrClN3O2/c1-6(2)10(11(15)17-19)16-12(18)7-3-4-9(14)8(13)5-7/h3-6,10,19H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyOPIQWTDSVFQWPM-UHFFFAOYSA-N
XLogP2.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide (CID 107992517) is N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide is CC(C)C(NC(=O)c1ccc(Cl)c(Br)c1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide?
The InChIKey is OPIQWTDSVFQWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O2/c1-6(2)10(11(15)17-19)16-12(18)7-3-4-9(14)8(13)5-7/h3-6,10,19H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide?
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide has a molecular weight of 348.63 g/mol, XLogP of 2.60, 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-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide is sourced from PubChem (CID 107992517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).