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

C18H20ClN3O2 — CID 135643129

IUPAC4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-22(4-2)16-10-7-14(17(23)11-16)12-20-21-18(24)13-5-8-15(19)9-6-13/h5-12,23H,3-4H2,1-2H3,(H,21,24)/b20-12+
InChIKeyQRVSVBKVCWZORQ-UDWIEESQSA-N
MW345.83 g/mol
LogP3.66
Rot. Bonds6

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

4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 135643129) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID135643129
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H20ClN3O2/c1-3-22(4-2)16-10-7-14(17(23)11-16)12-20-21-18(24)13-5-8-15(19)9-6-13/h5-12,23H,3-4H2,1-2H3,(H,21,24)/b20-12+
InChIKeyQRVSVBKVCWZORQ-UDWIEESQSA-N
XLogP3.66
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
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

Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305
N'-[4-(diethylamino)-2-hydroxybenzylidene]benzohydrazide
CID 135472455
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 135520574
N'-(4-(Diethylamino)benzylidene)-2-hydroxybenzohydrazide
CID 6898897
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 6907129
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-hydroxybenzohydrazide
CID 6870805
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
CID 135971384

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (CID 135643129) is 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is QRVSVBKVCWZORQ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-3-22(4-2)16-10-7-14(17(23)11-16)12-20-21-18(24)13-5-8-15(19)9-6-13/h5-12,23H,3-4H2,1-2H3,(H,21,24)/b20-12+.
What are the key properties of 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 345.83 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 135643129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).