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

C15H14N2O2 — CID 24691047

IUPACN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-11(17-19)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h2-10,19H,1H3,(H,16,18)/b17-11+
InChIKeyOQRLONBSUPFJKF-GZTJUZNOSA-N
MW254.29 g/mol
LogP3.14
Rot. Bonds3

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

N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (PubChem CID 24691047) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
PubChem CID24691047
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
SMILESC/C(=N\O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C15H14N2O2/c1-11(17-19)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h2-10,19H,1H3,(H,16,18)/b17-11+
InChIKeyOQRLONBSUPFJKF-GZTJUZNOSA-N
XLogP3.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.14
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-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-4-nitrobenzamide
CID 24705666
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 43823245
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015759
3-bromo-2-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107953598
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 76950265
5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
5-bromo-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 24697212
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide (CID 24691047) is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is C/C(=N\O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
The InChIKey is OQRLONBSUPFJKF-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(17-19)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h2-10,19H,1H3,(H,16,18)/b17-11+.
What are the key properties of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide?
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide has a molecular weight of 254.29 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 24691047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).