N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide

C12H16BrN3O2 — CID 76952762

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
SMILESCC(CNC(=O)Cc1ccc(Br)cc1)C(N)=NO
InChIInChI=1S/C12H16BrN3O2/c1-8(12(14)16-18)7-15-11(17)6-9-2-4-10(13)5-3-9/h2-5,8,18H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMPSJMXWIRWRMHZ-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.49
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide (PubChem CID 76952762) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
PubChem CID76952762
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
SMILESCC(CNC(=O)Cc1ccc(Br)cc1)C(N)=NO
InChIInChI=1S/C12H16BrN3O2/c1-8(12(14)16-18)7-15-11(17)6-9-2-4-10(13)5-3-9/h2-5,8,18H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMPSJMXWIRWRMHZ-UHFFFAOYSA-N
XLogP1.49
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.49
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-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide
CID 55102187
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
CID 55102577
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide
CID 76952947
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-6-fluorobenzamide
CID 114560779
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
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
2-(4-bromophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103769732
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-chlorothiophene-2-carboxamide
CID 80642272
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide (CID 76952762) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide is CC(CNC(=O)Cc1ccc(Br)cc1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide?
The InChIKey is MPSJMXWIRWRMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-8(12(14)16-18)7-15-11(17)6-9-2-4-10(13)5-3-9/h2-5,8,18H,6-7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide has a molecular weight of 314.18 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 76952762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).