N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide

C18H19BrN2O4 — CID 110509515

IUPACN-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCC
InChIInChI=1S/C18H19BrN2O4/c1-3-24-16-10-12(9-14(19)17(16)25-4-2)11-20-21-18(23)13-7-5-6-8-15(13)22/h5-11,22H,3-4H2,1-2H3,(H,21,23)/b20-11-
InChIKeyWPDRQMSEYOVPPC-JAIQZWGSSA-N
MW407.26 g/mol
LogP3.72
Rot. Bonds7

About N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide

N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide (PubChem CID 110509515) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
PubChem CID110509515
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCC
InChIInChI=1S/C18H19BrN2O4/c1-3-24-16-10-12(9-14(19)17(16)25-4-2)11-20-21-18(23)13-7-5-6-8-15(13)22/h5-11,22H,3-4H2,1-2H3,(H,21,23)/b20-11-
InChIKeyWPDRQMSEYOVPPC-JAIQZWGSSA-N
XLogP3.72
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.72
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)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-methoxybenzamide
CID 124605332
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 3997670
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N-[(Z)-(3-bromo-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 110509267
2-[2-bromo-4-[[(2-bromobenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetic acid
CID 1283223
ethyl 2-[2-bromo-4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-6-ethoxyphenoxy]acetate
CID 17245502
2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3915998
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523727
N-[(E)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-methylbenzamide
CID 19060893
N-[(Z)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 126372815
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 2643124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide (CID 110509515) is N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide is CCOc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCC.
What is the InChIKey of N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is WPDRQMSEYOVPPC-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-24-16-10-12(9-14(19)17(16)25-4-2)11-20-21-18(23)13-7-5-6-8-15(13)22/h5-11,22H,3-4H2,1-2H3,(H,21,23)/b20-11-.
What are the key properties of N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide?
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 407.26 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 110509515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).