N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide

C12H16BrN3O3 — CID 77038937

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide
SMILESCC(C)C(NC(=O)c1ccc(Br)cc1O)C(N)=NO
InChIInChI=1S/C12H16BrN3O3/c1-6(2)10(11(14)16-19)15-12(18)8-4-3-7(13)5-9(8)17/h3-6,10,17,19H,1-2H3,(H2,14,16)(H,15,18)
InChIKeyQEWHNTBPDWYVKE-UHFFFAOYSA-N
MW330.18 g/mol
LogP1.66
Rot. Bonds4

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide (PubChem CID 77038937) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide
PubChem CID77038937
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide
SMILESCC(C)C(NC(=O)c1ccc(Br)cc1O)C(N)=NO
InChIInChI=1S/C12H16BrN3O3/c1-6(2)10(11(14)16-19)15-12(18)8-4-3-7(13)5-9(8)17/h3-6,10,17,19H,1-2H3,(H2,14,16)(H,15,18)
InChIKeyQEWHNTBPDWYVKE-UHFFFAOYSA-N
XLogP1.66
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 77039292
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852
4-bromo-N-butan-2-yl-2-hydroxybenzamide
CID 47435868
N-[(1Z)-1-amino-1-hydroxyimino-3-methylbutan-2-yl]-3-bromo-4-chlorobenzamide
CID 107992517
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
CID 76922753
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-bromothiophene-2-carboxamide
CID 77039223
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
(2S)-2-[(4-bromo-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 61136401
N-[(2S)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-chloro-2-hydroxybenzamide
CID 46862080
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135153
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-3,5-dibromobenzamide
CID 114022873
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylbutanoic acid
CID 30117592

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide (CID 77038937) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide is CC(C)C(NC(=O)c1ccc(Br)cc1O)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide?
The InChIKey is QEWHNTBPDWYVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-6(2)10(11(14)16-19)15-12(18)8-4-3-7(13)5-9(8)17/h3-6,10,17,19H,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide has a molecular weight of 330.18 g/mol, XLogP of 1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-bromo-2-hydroxybenzamide is sourced from PubChem (CID 77038937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).