4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide

C18H20ClN3O3 — CID 135716285

IUPAC4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)c(O)c1
InChIInChI=1S/C18H20ClN3O3/c1-3-22(4-2)14-7-5-12(16(23)10-14)11-20-21-18(25)15-8-6-13(19)9-17(15)24/h5-11,23-24H,3-4H2,1-2H3,(H,21,25)/b20-11+
InChIKeyIKACVIQWPUCNFD-RGVLZGJSSA-N
MW361.83 g/mol
LogP3.36
Rot. Bonds6

About 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide

4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide (PubChem CID 135716285) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
PubChem CID135716285
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)c(O)c1
InChIInChI=1S/C18H20ClN3O3/c1-3-22(4-2)14-7-5-12(16(23)10-14)11-20-21-18(25)15-8-6-13(19)9-17(15)24/h5-11,23-24H,3-4H2,1-2H3,(H,21,25)/b20-11+
InChIKeyIKACVIQWPUCNFD-RGVLZGJSSA-N
XLogP3.36
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
2-chloro-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-nitrobenzamide
CID 4585295
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 847592
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 135804473
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-nitrobenzamide
CID 136858298
5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide
CID 9040611
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
4-chloro-N-[(Z)-(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 5405746

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide (CID 135716285) is 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)c(O)c1.
What is the InChIKey of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is IKACVIQWPUCNFD-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-3-22(4-2)14-7-5-12(16(23)10-14)11-20-21-18(25)15-8-6-13(19)9-17(15)24/h5-11,23-24H,3-4H2,1-2H3,(H,21,25)/b20-11+.
What are the key properties of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide?
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 361.83 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135716285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).