N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide

C22H19ClN2O4 — CID 126397265

IUPACN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c(O)c1
InChIInChI=1S/C22H19ClN2O4/c1-28-18-10-11-19(21(26)12-18)22(27)25-24-13-15-6-8-17(9-7-15)29-14-16-4-2-3-5-20(16)23/h2-13,26H,14H2,1H3,(H,25,27)/b24-13-
InChIKeyRLSABHKNOMFAMP-CFRMEGHHSA-N
MW410.86 g/mol
LogP4.40
Rot. Bonds7

About N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide

N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide (PubChem CID 126397265) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
PubChem CID126397265
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c(O)c1
InChIInChI=1S/C22H19ClN2O4/c1-28-18-10-11-19(21(26)12-18)22(27)25-24-13-15-6-8-17(9-7-15)29-14-16-4-2-3-5-20(16)23/h2-13,26H,14H2,1H3,(H,25,27)/b24-13-
InChIKeyRLSABHKNOMFAMP-CFRMEGHHSA-N
XLogP4.40
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.40
H-Bond Donors ≤ 52
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

N-[(Z)-benzylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396389
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4218873
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide
CID 94847954
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 137156000
tert-butyl N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]carbamate
CID 6883331
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide (CID 126397265) is N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c(O)c1.
What is the InChIKey of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
The InChIKey is RLSABHKNOMFAMP-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-28-18-10-11-19(21(26)12-18)22(27)25-24-13-15-6-8-17(9-7-15)29-14-16-4-2-3-5-20(16)23/h2-13,26H,14H2,1H3,(H,25,27)/b24-13-.
What are the key properties of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide?
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide has a molecular weight of 410.86 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 126397265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).