5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

C15H13BrN2O3 — CID 107729682

IUPAC5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O3/c1-9(18-21)10-2-5-12(6-3-10)17-15(20)13-8-11(16)4-7-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9-
InChIKeyKVFFWTXNCIJCJQ-NVMNQCDNSA-N
MW349.18 g/mol
LogP3.61
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 107729682) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID107729682
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N/O)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1
InChIInChI=1S/C15H13BrN2O3/c1-9(18-21)10-2-5-12(6-3-10)17-15(20)13-8-11(16)4-7-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9-
InChIKeyKVFFWTXNCIJCJQ-NVMNQCDNSA-N
XLogP3.61
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-fluoro-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 115298806
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
5-bromo-2-hydroxy-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]benzamide
CID 135706744
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
4-hydroxy-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24707724
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
5-bromo-2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43095783
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 107729682) is 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N/O)c1ccc(NC(=O)c2cc(Br)ccc2O)cc1.
What is the InChIKey of 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is KVFFWTXNCIJCJQ-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9(18-21)10-2-5-12(6-3-10)17-15(20)13-8-11(16)4-7-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9-.
What are the key properties of 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 349.18 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 107729682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).