4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide

C14H11ClN2O3 — CID 135403186

IUPAC4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O3/c15-11-4-1-9(2-5-11)14(20)17-16-8-10-3-6-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyVHWWKYDPEFTEEN-LZYBPNLTSA-N
MW290.71 g/mol
LogP2.52
Rot. Bonds3

About 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide

4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (PubChem CID 135403186) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
PubChem CID135403186
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O3/c15-11-4-1-9(2-5-11)14(20)17-16-8-10-3-6-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+
InChIKeyVHWWKYDPEFTEEN-LZYBPNLTSA-N
XLogP2.52
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzoic (2-hydroxybenzylidene)hydrazide
CID 135778696
4-chloro-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579320
Salicylic (4-hydroxybenzylidene)hydrazide
CID 135504499
(E)-N'-(4-hydroxybenzylidene)benzohydrazide
CID 135459360
(4-Chloro-phenyl)-acetic acid (2-hydroxy-5-methyl-benzylidene)-hydrazide
CID 135531708
N'-(5-Chloro-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135400291
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide
CID 135433444
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-hydroxybenzohydrazide
CID 135459120
3-chloro-N'-(2-hydroxybenzylidene)benzohydrazide
CID 135478386
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 136200694
4-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 137211259
4-fluoro-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 137290302

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide (CID 135403186) is 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
The InChIKey is VHWWKYDPEFTEEN-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-4-1-9(2-5-11)14(20)17-16-8-10-3-6-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+.
What are the key properties of 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide has a molecular weight of 290.71 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135403186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).