N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

C14H11ClN2O3 — CID 137029868

IUPACN-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1c(O)cccc1Cl)c1ccccc1O
InChIInChI=1S/C14H11ClN2O3/c15-11-5-3-7-13(19)10(11)8-16-17-14(20)9-4-1-2-6-12(9)18/h1-8,18-19H,(H,17,20)
InChIKeyZEMSCTVRVWMBAL-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.52
Rot. Bonds3

About N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 137029868) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID137029868
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1c(O)cccc1Cl)c1ccccc1O
InChIInChI=1S/C14H11ClN2O3/c15-11-5-3-7-13(19)10(11)8-16-17-14(20)9-4-1-2-6-12(9)18/h1-8,18-19H,(H,17,20)
InChIKeyZEMSCTVRVWMBAL-UHFFFAOYSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 94831737
N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 137058209

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 137029868) is N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1c(O)cccc1Cl)c1ccccc1O.
What is the InChIKey of N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is ZEMSCTVRVWMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-11-5-3-7-13(19)10(11)8-16-17-14(20)9-4-1-2-6-12(9)18/h1-8,18-19H,(H,17,20).
What are the key properties of N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide 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 N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 137029868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).