2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

C15H12Br2N2O2 — CID 114373061

IUPAC2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H12Br2N2O2/c1-9(19-21)10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)17/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyCLZVLXNOYGWUSV-OCKHKDLRSA-N
MW412.08 g/mol
LogP4.66
Rot. Bonds3

About 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 114373061) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID114373061
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H12Br2N2O2/c1-9(19-21)10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)17/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyCLZVLXNOYGWUSV-OCKHKDLRSA-N
XLogP4.66
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
2,5-dibromo-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 114375212
3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107953598
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682
5-bromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 79989759

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 114373061) is 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/O)c1cccc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is CLZVLXNOYGWUSV-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c1-9(19-21)10-3-2-4-12(7-10)18-15(20)13-8-11(16)5-6-14(13)17/h2-8,21H,1H3,(H,18,20)/b19-9-.
What are the key properties of 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 412.08 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 114373061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).