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

C13H18BrN3O2 — CID 81476900

IUPACN-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide
SMILESCCC(C)(NC(=O)c1ccc(C)c(Br)c1)/C(N)=N/O
InChIInChI=1S/C13H18BrN3O2/c1-4-13(3,12(15)17-19)16-11(18)9-6-5-8(2)10(14)7-9/h5-7,19H,4H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyQUZABMGLFDRLHX-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.40
Rot. Bonds4

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

N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide (PubChem CID 81476900) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide
PubChem CID81476900
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide
SMILESCCC(C)(NC(=O)c1ccc(C)c(Br)c1)/C(N)=N/O
InChIInChI=1S/C13H18BrN3O2/c1-4-13(3,12(15)17-19)16-11(18)9-6-5-8(2)10(14)7-9/h5-7,19H,4H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyQUZABMGLFDRLHX-UHFFFAOYSA-N
XLogP2.40
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.40
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-hydroxyimino-2-methylbutan-2-yl]-4-chloro-3-fluorobenzamide
CID 107992396
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996495
3-bromo-N-(1-chloro-2-methylbutan-2-yl)-4-methylbenzamide
CID 114303771
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2,6-difluoro-3-methylbenzamide
CID 82815896
3-bromo-4-fluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]benzamide
CID 107956471
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-methylpyridine-2-carboxamide
CID 76940182
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-3-chloro-4-methylbenzamide
CID 76988274
3-[(3-bromo-4-methylbenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 81362189
3-bromo-N-(2-cyanopropan-2-yl)-4-methylbenzamide
CID 71865591
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671954
1-N',4-N'-bis(3-bromo-4-methylbenzoyl)benzene-1,4-dicarbohydrazide
CID 3274515
N-(4-amino-4-oxobutyl)-3-bromo-4-methylbenzamide
CID 79466852

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide (CID 81476900) is N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide is CCC(C)(NC(=O)c1ccc(C)c(Br)c1)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide?
The InChIKey is QUZABMGLFDRLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-4-13(3,12(15)17-19)16-11(18)9-6-5-8(2)10(14)7-9/h5-7,19H,4H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide?
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide has a molecular weight of 328.21 g/mol, XLogP of 2.40, 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-2-methylbutan-2-yl]-3-bromo-4-methylbenzamide is sourced from PubChem (CID 81476900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).