N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide

C12H15BrClN3O2 — CID 107940559

IUPACN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide
SMILESCCC(C/C(N)=N/O)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClN3O2/c1-2-10(6-11(15)17-19)16-12(18)7-3-8(13)5-9(14)4-7/h3-5,10,19H,2,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNNOGUIWYDQQDGF-UHFFFAOYSA-N
MW348.63 g/mol
LogP2.75
Rot. Bonds5

About N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide

N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide (PubChem CID 107940559) 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]-3-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide
PubChem CID107940559
Molecular FormulaC12H15BrClN3O2
Molecular Weight348.63 g/mol
Exact Mass347.00
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide
SMILESCCC(C/C(N)=N/O)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H15BrClN3O2/c1-2-10(6-11(15)17-19)16-12(18)7-3-8(13)5-9(14)4-7/h3-5,10,19H,2,6H2,1H3,(H2,15,17)(H,16,18)
InChIKeyNNOGUIWYDQQDGF-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

3-[(3-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 107938291
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-2-bromo-4-chlorobenzamide
CID 107992470
N-(1-amino-1-hydroxyiminopentan-3-yl)-3,4-difluorobenzamide
CID 76947874
3-bromo-5-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 104694810
N-(1-amino-1-hydroxyiminopentan-3-yl)-4-methylbenzamide
CID 76947753
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3,4-dihydroxybenzamide
CID 107728912
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-4-bromo-2-methylbenzamide
CID 55101444
N-(1-amino-1-hydroxyiminopentan-3-yl)-5-methylpyridine-3-carboxamide
CID 77072497
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803
5-amino-2-[(3-bromo-5-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 107937702
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
N-(1-amino-1-hydroxyiminopentan-3-yl)-3-fluoro-4-methoxybenzamide
CID 76977862

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide (CID 107940559) is N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide is CCC(C/C(N)=N/O)NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide?
The InChIKey is NNOGUIWYDQQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O2/c1-2-10(6-11(15)17-19)16-12(18)7-3-8(13)5-9(14)4-7/h3-5,10,19H,2,6H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-chlorobenzamide?
N-[(1Z)-1-amino-1-hydroxyiminopentan-3-yl]-3-bromo-5-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]-3-bromo-5-chlorobenzamide is sourced from PubChem (CID 107940559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).