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

C12H15BrClN3O2 — CID 107992470

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
SMILESCCC(C/C(N)=N/O)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClN3O2/c1-2-8(6-11(15)17-19)16-12(18)9-4-3-7(14)5-10(9)13/h3-5,8,19H,2,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyIJOIPWLPCKNBJL-UHFFFAOYSA-N
MW348.63 g/mol
LogP2.75
Rot. Bonds5

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

N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide (PubChem CID 107992470) has the molecular formula C12H15BrClN3O2 and a molecular weight of 348.63 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
PubChem CID107992470
Molecular FormulaC12H15BrClN3O2
Molecular Weight348.63 g/mol
Exact Mass347.00
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
SMILESCCC(C/C(N)=N/O)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H15BrClN3O2/c1-2-8(6-11(15)17-19)16-12(18)9-4-3-7(14)5-10(9)13/h3-5,8,19H,2,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyIJOIPWLPCKNBJL-UHFFFAOYSA-N
XLogP2.75
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 52.75
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-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide
CID 107940559
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-4-bromo-2-methylbenzamide
CID 55101444
N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
2-bromo-4-chloro-N-pent-1-yn-3-ylbenzamide
CID 103578921
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671999
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoropyridine-4-carboxamide
CID 77054803
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3,4-dihydroxybenzamide
CID 107728912

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide (CID 107992470) is N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide is CCC(C/C(N)=N/O)NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide?
The InChIKey is IJOIPWLPCKNBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O2/c1-2-8(6-11(15)17-19)16-12(18)9-4-3-7(14)5-10(9)13/h3-5,8,19H,2,6H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide has a molecular weight of 348.63 g/mol, XLogP of 2.75, 5 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-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 107992470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).