5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

C15H13ClN2O3 — CID 43096147

IUPAC5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H13ClN2O3/c1-9(18-21)10-3-2-4-12(7-10)17-15(20)13-8-11(16)5-6-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9+
InChIKeyYEFNGEJNFSAHOG-GIJQJNRQSA-N
MW304.73 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide

5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 43096147) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID43096147
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C15H13ClN2O3/c1-9(18-21)10-3-2-4-12(7-10)17-15(20)13-8-11(16)5-6-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9+
InChIKeyYEFNGEJNFSAHOG-GIJQJNRQSA-N
XLogP3.50
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.50
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

3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide
CID 6111045
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
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
5-chloro-2-hydroxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 70853824
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 43096147) is 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N\O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is YEFNGEJNFSAHOG-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-9(18-21)10-3-2-4-12(7-10)17-15(20)13-8-11(16)5-6-14(13)19/h2-8,19,21H,1H3,(H,17,20)/b18-9+.
What are the key properties of 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 304.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 43096147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).