5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide

C19H20ClN3O4 — CID 3129907

IUPAC5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)CC(C)=NNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C19H20ClN3O4/c1-3-27-15-7-5-14(6-8-15)21-18(25)10-12(2)22-23-19(26)16-11-13(20)4-9-17(16)24/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,23,26)
InChIKeySZCLEICQAFZCCQ-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.58
Rot. Bonds7

About 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide

5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide (PubChem CID 3129907) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
PubChem CID3129907
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
SMILESCCOc1ccc(NC(=O)CC(C)=NNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C19H20ClN3O4/c1-3-27-15-7-5-14(6-8-15)21-18(25)10-12(2)22-23-19(26)16-11-13(20)4-9-17(16)24/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,23,26)
InChIKeySZCLEICQAFZCCQ-UHFFFAOYSA-N
XLogP3.58
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.58
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

5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
5-chloro-N-[[4-(2,5-dichloroanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3634372
5-chloro-2-hydroxy-N-[[4-[(4-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]benzamide
CID 3105445
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 8022864
N-(4-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532343
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9297750
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
(3E)-3-(carbamoylhydrazinylidene)-N-(4-chlorophenyl)butanamide
CID 6091907

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide (CID 3129907) is 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide is CCOc1ccc(NC(=O)CC(C)=NNC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
The InChIKey is SZCLEICQAFZCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-3-27-15-7-5-14(6-8-15)21-18(25)10-12(2)22-23-19(26)16-11-13(20)4-9-17(16)24/h4-9,11,24H,3,10H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide has a molecular weight of 389.84 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 3129907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).