2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide

C17H16IN3O3 — CID 5371078

IUPAC2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide
SMILESC/C(CC(=O)Nc1cccc(I)c1)=N/NC(=O)c1ccccc1O
InChIInChI=1S/C17H16IN3O3/c1-11(9-16(23)19-13-6-4-5-12(18)10-13)20-21-17(24)14-7-2-3-8-15(14)22/h2-8,10,22H,9H2,1H3,(H,19,23)(H,21,24)/b20-11-
InChIKeyDWOVWVZQJXZWRT-JAIQZWGSSA-N
MW437.24 g/mol
LogP3.13
Rot. Bonds5

About 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide

2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide (PubChem CID 5371078) has the molecular formula C17H16IN3O3 and a molecular weight of 437.24 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide
PubChem CID5371078
Molecular FormulaC17H16IN3O3
Molecular Weight437.24 g/mol
Exact Mass437.02
IUPAC Name2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide
SMILESC/C(CC(=O)Nc1cccc(I)c1)=N/NC(=O)c1ccccc1O
InChIInChI=1S/C17H16IN3O3/c1-11(9-16(23)19-13-6-4-5-12(18)10-13)20-21-17(24)14-7-2-3-8-15(14)22/h2-8,10,22H,9H2,1H3,(H,19,23)(H,21,24)/b20-11-
InChIKeyDWOVWVZQJXZWRT-JAIQZWGSSA-N
XLogP3.13
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242
N-[[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide
CID 3611093
N-[[4-(3-chloroanilino)-4-oxobutan-2-ylidene]amino]-2-methoxybenzamide
CID 3129922
2,4-dihydroxy-N-[[4-(3-nitroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 4692567
2-hydroxy-3-methyl-N-[[4-oxo-4-[3-(trifluoromethyl)anilino]butan-2-ylidene]amino]benzamide
CID 2889180
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
N-[[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]-2-chlorobenzamide
CID 4668020
2-hydroxy-N-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)butan-2-ylidene]amino]benzamide
CID 3105634
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 8022864
3-fluoro-N-[(Z)-[4-(3-fluoroanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5371304
2,4-dimethoxy-N-[(E)-[4-(3-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 56760922
2-hydroxy-N-[(E)-(5,5,5-trifluoro-4-hydroxypentan-2-ylidene)amino]benzamide
CID 177387060

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide (CID 5371078) is 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide is C/C(CC(=O)Nc1cccc(I)c1)=N/NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide?
The InChIKey is DWOVWVZQJXZWRT-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H16IN3O3/c1-11(9-16(23)19-13-6-4-5-12(18)10-13)20-21-17(24)14-7-2-3-8-15(14)22/h2-8,10,22H,9H2,1H3,(H,19,23)(H,21,24)/b20-11-.
What are the key properties of 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide?
2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide has a molecular weight of 437.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]benzamide is sourced from PubChem (CID 5371078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).