5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide

C19H11ClN2O3 — CID 9297791

IUPAC5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESO=C(N/N=C1\C(=O)c2cccc3cccc1c23)c1cc(Cl)ccc1O
InChIInChI=1S/C19H11ClN2O3/c20-11-7-8-15(23)14(9-11)19(25)22-21-17-12-5-1-3-10-4-2-6-13(16(10)12)18(17)24/h1-9,23H,(H,22,25)/b21-17-
InChIKeyQIQCSUDPTUPBNX-FXBPSFAMSA-N
MW350.76 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide

5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide (PubChem CID 9297791) has the molecular formula C19H11ClN2O3 and a molecular weight of 350.76 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
PubChem CID9297791
Molecular FormulaC19H11ClN2O3
Molecular Weight350.76 g/mol
Exact Mass350.05
IUPAC Name5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
SMILESO=C(N/N=C1\C(=O)c2cccc3cccc1c23)c1cc(Cl)ccc1O
InChIInChI=1S/C19H11ClN2O3/c20-11-7-8-15(23)14(9-11)19(25)22-21-17-12-5-1-3-10-4-2-6-13(16(10)12)18(17)24/h1-9,23H,(H,22,25)/b21-17-
InChIKeyQIQCSUDPTUPBNX-FXBPSFAMSA-N
XLogP3.53
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 2552582
N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
CID 9156024
3-(diethylsulfamoyl)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 6901929
N-(2-adamantylideneamino)-5-chloro-2-hydroxybenzamide
CID 840860
N-[(2-oxoacenaphthylen-1-ylidene)amino]-3-piperidin-1-ylsulfonylbenzamide
CID 2527054
5-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
5-chloro-2-hydroxy-N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]benzamide
CID 869893
2-[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]acenaphthylen-1-one
CID 4272869
2-(2-fluorophenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6173888
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-5-chloro-2-hydroxybenzamide
CID 9297796
(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
CID 6509374
N-(5-chloro-2-hydroxybenzoyl)-2,6-difluorobenzamide
CID 10244966

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide (CID 9297791) is 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is O=C(N/N=C1\C(=O)c2cccc3cccc1c23)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
The InChIKey is QIQCSUDPTUPBNX-FXBPSFAMSA-N. The full InChI is InChI=1S/C19H11ClN2O3/c20-11-7-8-15(23)14(9-11)19(25)22-21-17-12-5-1-3-10-4-2-6-13(16(10)12)18(17)24/h1-9,23H,(H,22,25)/b21-17-.
What are the key properties of 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide?
5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide has a molecular weight of 350.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]benzamide is sourced from PubChem (CID 9297791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).