2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide

C14H12N2O3 — CID 708103

IUPAC2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H12N2O3/c15-14(19)10-3-1-2-4-11(10)16-8-9-5-6-12(17)13(18)7-9/h1-8,17-18H,(H2,15,19)/b16-8+
InChIKeyAFYXSRSPVGUSAK-LZYBPNLTSA-N
MW256.26 g/mol
LogP1.95
Rot. Bonds3

About 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide

2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 708103) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID708103
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESNC(=O)c1ccccc1/N=C/c1ccc(O)c(O)c1
InChIInChI=1S/C14H12N2O3/c15-14(19)10-3-1-2-4-11(10)16-8-9-5-6-12(17)13(18)7-9/h1-8,17-18H,(H2,15,19)/b16-8+
InChIKeyAFYXSRSPVGUSAK-LZYBPNLTSA-N
XLogP1.95
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(benzylideneamino)benzamide
CID 794805
2-[(4-fluorophenyl)methylideneamino]benzamide
CID 932011
2-[(4-nitrophenyl)methylideneamino]benzamide
CID 910209
[(3,4-dihydroxyphenyl)methylideneamino]thiourea
CID 681134
2-[[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 165346255
2-[(2-nitrophenyl)methylideneamino]benzamide
CID 794642
2-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681119
4-(pyrimidin-2-yliminomethyl)benzene-1,2-diol
CID 3473364
4-[(2,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 780515
2-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 969228
2-phenyldiazenylbenzamide
CID 3752866
1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione
CID 141258297

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide (CID 708103) is 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide is NC(=O)c1ccccc1/N=C/c1ccc(O)c(O)c1.
What is the InChIKey of 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is AFYXSRSPVGUSAK-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12N2O3/c15-14(19)10-3-1-2-4-11(10)16-8-9-5-6-12(17)13(18)7-9/h1-8,17-18H,(H2,15,19)/b16-8+.
What are the key properties of 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide?
2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 256.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 708103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).