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

C15H13ClN2O2 — CID 24689515

IUPAC2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\O)c1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-10(18-20)11-6-3-5-9-14(11)17-15(19)12-7-2-4-8-13(12)16/h2-9,20H,1H3,(H,17,19)/b18-10+
InChIKeyHTFSDBSEEBAAAN-VCHYOVAHSA-N
MW288.73 g/mol
LogP3.79
Rot. Bonds3

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

2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 24689515) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID24689515
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\O)c1ccccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-10(18-20)11-6-3-5-9-14(11)17-15(19)12-7-2-4-8-13(12)16/h2-9,20H,1H3,(H,17,19)/b18-10+
InChIKeyHTFSDBSEEBAAAN-VCHYOVAHSA-N
XLogP3.79
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.79
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

N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-(2-chlorophenyl)-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 43106968
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dimethylbenzamide
CID 24708814
3-chloro-N-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-methylthiophene-2-carboxamide
CID 103402001
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]pyridine-4-carboxamide
CID 24698005
2,5-difluoro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24690576
2-hydroxy-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-5-methylbenzamide
CID 43185521
3-fluoro-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054716
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 77061609
3-bromo-N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 77007128
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 24689515) is 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N\O)c1ccccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is HTFSDBSEEBAAAN-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10(18-20)11-6-3-5-9-14(11)17-15(19)12-7-2-4-8-13(12)16/h2-9,20H,1H3,(H,17,19)/b18-10+.
What are the key properties of 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 288.73 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 24689515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).