N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide

C11H14BrN3O2 — CID 55102187

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide
SMILESCC(CNC(=O)c1ccc(Br)cc1)/C(N)=N/O
InChIInChI=1S/C11H14BrN3O2/c1-7(10(13)15-17)6-14-11(16)8-2-4-9(12)5-3-8/h2-5,7,17H,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNSMCXMKTTBAGAS-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.56
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide (PubChem CID 55102187) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide
PubChem CID55102187
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide
SMILESCC(CNC(=O)c1ccc(Br)cc1)/C(N)=N/O
InChIInChI=1S/C11H14BrN3O2/c1-7(10(13)15-17)6-14-11(16)8-2-4-9(12)5-3-8/h2-5,7,17H,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNSMCXMKTTBAGAS-UHFFFAOYSA-N
XLogP1.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.56
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-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
CID 76952762
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide
CID 76952947
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-3-carboxamide
CID 76952612
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 76953006
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-6-fluorobenzamide
CID 114560779
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 76953051
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide (CID 55102187) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide is CC(CNC(=O)c1ccc(Br)cc1)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide?
The InChIKey is NSMCXMKTTBAGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-7(10(13)15-17)6-14-11(16)8-2-4-9(12)5-3-8/h2-5,7,17H,6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide has a molecular weight of 300.16 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide is sourced from PubChem (CID 55102187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).