N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide

C15H11N3O3 — CID 764268

IUPACN-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESN#Cc1ccc(C=NNC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H11N3O3/c16-8-10-1-3-11(4-2-10)9-17-18-15(21)13-6-5-12(19)7-14(13)20/h1-7,9,19-20H,(H,18,21)
InChIKeyUQOSTQXGXOYPMU-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.73
Rot. Bonds3

About N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide

N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide (PubChem CID 764268) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide
PubChem CID764268
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC NameN-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide
SMILESN#Cc1ccc(C=NNC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H11N3O3/c16-8-10-1-3-11(4-2-10)9-17-18-15(21)13-6-5-12(19)7-14(13)20/h1-7,9,19-20H,(H,18,21)
InChIKeyUQOSTQXGXOYPMU-UHFFFAOYSA-N
XLogP1.73
TPSA105.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 869882
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
[4-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 5437491
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 45054603
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
N-[(E)-(2-bromophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 45054611
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
N-[(E)-(2-fluorophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 5333882
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The IUPAC name of N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide (CID 764268) is N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide is N#Cc1ccc(C=NNC(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide?
The InChIKey is UQOSTQXGXOYPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-8-10-1-3-11(4-2-10)9-17-18-15(21)13-6-5-12(19)7-14(13)20/h1-7,9,19-20H,(H,18,21).
What are the key properties of N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide?
N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide has a molecular weight of 281.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylideneamino]-2,4-dihydroxybenzamide is sourced from PubChem (CID 764268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).