3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

C15H12BrFN2O2 — CID 107953598

IUPAC3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-9(19-21)10-4-2-5-11(8-10)18-15(20)12-6-3-7-13(16)14(12)17/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyAIBITEDUPHFVIB-OCKHKDLRSA-N
MW351.18 g/mol
LogP4.04
Rot. Bonds3

About 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 107953598) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID107953598
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H12BrFN2O2/c1-9(19-21)10-4-2-5-11(8-10)18-15(20)12-6-3-7-13(16)14(12)17/h2-8,21H,1H3,(H,18,20)/b19-9-
InChIKeyAIBITEDUPHFVIB-OCKHKDLRSA-N
XLogP4.04
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 54.04
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

2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
5-bromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 79989759
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 107953598) is 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/O)c1cccc(NC(=O)c2cccc(Br)c2F)c1.
What is the InChIKey of 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is AIBITEDUPHFVIB-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-9(19-21)10-4-2-5-11(8-10)18-15(20)12-6-3-7-13(16)14(12)17/h2-8,21H,1H3,(H,18,20)/b19-9-.
What are the key properties of 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 351.18 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 107953598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).