N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide

C16H15N3O3 — CID 135505884

IUPACN-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide
SMILESCC(=NO)C(=NO)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15N3O3/c1-11(18-21)15(19-22)12-7-9-14(10-8-12)17-16(20)13-5-3-2-4-6-13/h2-10,21-22H,1H3,(H,17,20)
InChIKeyZJFVXYOXWTVGOC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.97
Rot. Bonds4

About N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide

N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide (PubChem CID 135505884) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide
PubChem CID135505884
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide
SMILESCC(=NO)C(=NO)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15N3O3/c1-11(18-21)15(19-22)12-7-9-14(10-8-12)17-16(20)13-5-3-2-4-6-13/h2-10,21-22H,1H3,(H,17,20)
InChIKeyZJFVXYOXWTVGOC-UHFFFAOYSA-N
XLogP2.97
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
4-benzamido-N-ethylbenzamide
CID 17153265
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
1-N,4-N-bis[4-(N-methyl-N'-phenylcarbamimidoyl)phenyl]benzene-1,4-dicarboxamide
CID 135408645
molecular hydrogen;N-phenylbenzamide
CID 145238042

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide?
The IUPAC name of N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide (CID 135505884) is N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide?
The canonical SMILES for N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide is CC(=NO)C(=NO)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide?
The InChIKey is ZJFVXYOXWTVGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11(18-21)15(19-22)12-7-9-14(10-8-12)17-16(20)13-5-3-2-4-6-13/h2-10,21-22H,1H3,(H,17,20).
What are the key properties of N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide?
N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide has a molecular weight of 297.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-hydroxy-C-(N-hydroxy-C-methylcarbonimidoyl)carbonimidoyl]phenyl]benzamide is sourced from PubChem (CID 135505884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).