4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide

C15H14N4O2 — CID 137178269

IUPAC4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)NN=Cc2ccc(C=NO)cc2)cc1
InChIInChI=1S/C15H14N4O2/c16-14-7-5-13(6-8-14)15(20)19-17-9-11-1-3-12(4-2-11)10-18-21/h1-10,21H,16H2,(H,19,20)
InChIKeyIFWRLEZXBJXZLE-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.84
Rot. Bonds4

About 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide

4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide (PubChem CID 137178269) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide
PubChem CID137178269
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide
SMILESNc1ccc(C(=O)NN=Cc2ccc(C=NO)cc2)cc1
InChIInChI=1S/C15H14N4O2/c16-14-7-5-13(6-8-14)15(20)19-17-9-11-1-3-12(4-2-11)10-18-21/h1-10,21H,16H2,(H,19,20)
InChIKeyIFWRLEZXBJXZLE-UHFFFAOYSA-N
XLogP1.84
TPSA100.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(4-aminophenyl)methylideneamino]acetamide
CID 123694049
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 135613044

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide (CID 137178269) is 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide is Nc1ccc(C(=O)NN=Cc2ccc(C=NO)cc2)cc1.
What is the InChIKey of 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide?
The InChIKey is IFWRLEZXBJXZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-14-7-5-13(6-8-14)15(20)19-17-9-11-1-3-12(4-2-11)10-18-21/h1-10,21H,16H2,(H,19,20).
What are the key properties of 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide?
4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide has a molecular weight of 282.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 137178269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).