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

C15H14N2O2 — CID 173127804

IUPAC3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
SMILESCC(=NO)c1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H14N2O2/c1-10(17-19)11-4-2-5-12(8-11)13-6-3-7-14(9-13)15(16)18/h2-9,19H,1H3,(H2,16,18)
InChIKeySNGLBOVESJFFBC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.65
Rot. Bonds3

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

3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide (PubChem CID 173127804) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
PubChem CID173127804
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
SMILESCC(=NO)c1cccc(-c2cccc(C(N)=O)c2)c1
InChIInChI=1S/C15H14N2O2/c1-10(17-19)11-4-2-5-12(8-11)13-6-3-7-14(9-13)15(16)18/h2-9,19H,1H3,(H2,16,18)
InChIKeySNGLBOVESJFFBC-UHFFFAOYSA-N
XLogP2.65
TPSA75.68 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 ≤ 52.65
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

3-phenylbenzamide;phosphoric acid
CID 130454344
3-[3-(2-methylprop-2-enyl)phenyl]benzamide
CID 143169964
4-(3-carbamoylphenyl)benzoate
CID 86307207
3-(2-oxo-1H-pyridin-4-yl)benzamide
CID 53217730
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
3-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 167913473
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]cyclopentanecarboxamide
CID 24704616
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,3-dimethylbutanamide
CID 77015759
(NE)-N-[1-[(1R,8R)-11-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]ethylidene]hydroxylamine
CID 71620020

Frequently Asked Questions

What is the IUPAC name of 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide?
The IUPAC name of 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide (CID 173127804) is 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide?
The canonical SMILES for 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide is CC(=NO)c1cccc(-c2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide?
The InChIKey is SNGLBOVESJFFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10(17-19)11-4-2-5-12(8-11)13-6-3-7-14(9-13)15(16)18/h2-9,19H,1H3,(H2,16,18).
What are the key properties of 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide?
3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide has a molecular weight of 254.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide is sourced from PubChem (CID 173127804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).