5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide

C19H22ClN3O3 — CID 9040611

IUPAC5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CCO)c1ccc(/C=N\NC(=O)c2cc(Cl)ccc2O)c(C)c1
InChIInChI=1S/C19H22ClN3O3/c1-3-23(8-9-24)16-6-4-14(13(2)10-16)12-21-22-19(26)17-11-15(20)5-7-18(17)25/h4-7,10-12,24-25H,3,8-9H2,1-2H3,(H,22,26)/b21-12-
InChIKeyCSEXOJRJXOWUOX-MTJSOVHGSA-N
MW375.86 g/mol
LogP2.94
Rot. Bonds7

About 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide

5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 9040611) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID9040611
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CCO)c1ccc(/C=N\NC(=O)c2cc(Cl)ccc2O)c(C)c1
InChIInChI=1S/C19H22ClN3O3/c1-3-23(8-9-24)16-6-4-14(13(2)10-16)12-21-22-19(26)17-11-15(20)5-7-18(17)25/h4-7,10-12,24-25H,3,8-9H2,1-2H3,(H,22,26)/b21-12-
InChIKeyCSEXOJRJXOWUOX-MTJSOVHGSA-N
XLogP2.94
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.94
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

4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 135716285
N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
CID 9060004
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide
CID 5426292
N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026333
2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol
CID 9059235
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135641867
5-chloro-2-hydroxy-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]benzamide
CID 9297976
2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
CID 4585295
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2,3,4-trihydroxybenzamide
CID 71557223

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide (CID 9040611) is 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide is CCN(CCO)c1ccc(/C=N\NC(=O)c2cc(Cl)ccc2O)c(C)c1.
What is the InChIKey of 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is CSEXOJRJXOWUOX-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-3-23(8-9-24)16-6-4-14(13(2)10-16)12-21-22-19(26)17-11-15(20)5-7-18(17)25/h4-7,10-12,24-25H,3,8-9H2,1-2H3,(H,22,26)/b21-12-.
What are the key properties of 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide?
5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 375.86 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 9040611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).