5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide

C19H18ClN3O3 — CID 6111045

IUPAC5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide
SMILESC=C(C)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C19H18ClN3O3/c1-11(2)18(25)21-15-6-4-5-13(9-15)12(3)22-23-19(26)16-10-14(20)7-8-17(16)24/h4-10,24H,1H2,2-3H3,(H,21,25)(H,23,26)/b22-12-
InChIKeyICUQVKJPXFHLEP-UUYOSTAYSA-N
MW371.82 g/mol
LogP3.71
Rot. Bonds5

About 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide

5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide (PubChem CID 6111045) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide
PubChem CID6111045
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide
SMILESC=C(C)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C19H18ClN3O3/c1-11(2)18(25)21-15-6-4-5-13(9-15)12(3)22-23-19(26)16-10-14(20)7-8-17(16)24/h4-10,24H,1H2,2-3H3,(H,21,25)(H,23,26)/b22-12-
InChIKeyICUQVKJPXFHLEP-UUYOSTAYSA-N
XLogP3.71
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 43096147
4-chloro-N-[(E)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 17337873
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
3-chloro-N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6010239
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
CID 6117391
5-chloro-N-[3-(ethylcarbamoyl)phenyl]-2-hydroxybenzamide
CID 51333059
N-[3-[(Z)-N-[(5-chloro-2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6011924

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide (CID 6111045) is 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide is C=C(C)C(=O)Nc1cccc(/C(C)=N\NC(=O)c2cc(Cl)ccc2O)c1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide?
The InChIKey is ICUQVKJPXFHLEP-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-11(2)18(25)21-15-6-4-5-13(9-15)12(3)22-23-19(26)16-10-14(20)7-8-17(16)24/h4-10,24H,1H2,2-3H3,(H,21,25)(H,23,26)/b22-12-.
What are the key properties of 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide?
5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide has a molecular weight of 371.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[(Z)-1-[3-(2-methylprop-2-enoylamino)phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 6111045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).