N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide

C17H17N3O3 — CID 4287242

IUPACN-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
SMILESCC(CC(=O)Nc1ccccc1)=NNC(=O)c1ccccc1O
InChIInChI=1S/C17H17N3O3/c1-12(11-16(22)18-13-7-3-2-4-8-13)19-20-17(23)14-9-5-6-10-15(14)21/h2-10,21H,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyABSLVRMPUKULQL-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.53
Rot. Bonds5

About N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide

N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide (PubChem CID 4287242) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
PubChem CID4287242
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
SMILESCC(CC(=O)Nc1ccccc1)=NNC(=O)c1ccccc1O
InChIInChI=1S/C17H17N3O3/c1-12(11-16(22)18-13-7-3-2-4-8-13)19-20-17(23)14-9-5-6-10-15(14)21/h2-10,21H,11H2,1H3,(H,18,22)(H,20,23)
InChIKeyABSLVRMPUKULQL-UHFFFAOYSA-N
XLogP2.53
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5371078
N-[[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]-2-chlorobenzamide
CID 4668020
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 8022864
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
N-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-2-methoxybenzamide
CID 3129914
2-bromo-N-[(E)-[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]benzamide
CID 171980942
2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide
CID 3105634
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3108558
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798

Frequently Asked Questions

What is the IUPAC name of N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide?
The IUPAC name of N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide (CID 4287242) is N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide is CC(CC(=O)Nc1ccccc1)=NNC(=O)c1ccccc1O.
What is the InChIKey of N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide?
The InChIKey is ABSLVRMPUKULQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(11-16(22)18-13-7-3-2-4-8-13)19-20-17(23)14-9-5-6-10-15(14)21/h2-10,21H,11H2,1H3,(H,18,22)(H,20,23).
What are the key properties of N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide?
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide has a molecular weight of 311.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide is sourced from PubChem (CID 4287242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).