N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide

C19H21BrN2O5 — CID 6301205

IUPACN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)cc2OC)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-5-27-18-15(20)8-12(9-17(18)26-4)11-21-22-19(23)14-7-6-13(24-2)10-16(14)25-3/h6-11H,5H2,1-4H3,(H,22,23)/b21-11-
InChIKeyLZQDGZCYBRQNDP-NHDPSOOVSA-N
MW437.29 g/mol
LogP3.64
Rot. Bonds8

About N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide

N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide (PubChem CID 6301205) has the molecular formula C19H21BrN2O5 and a molecular weight of 437.29 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
PubChem CID6301205
Molecular FormulaC19H21BrN2O5
Molecular Weight437.29 g/mol
Exact Mass436.06
IUPAC NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)cc2OC)cc1OC
InChIInChI=1S/C19H21BrN2O5/c1-5-27-18-15(20)8-12(9-17(18)26-4)11-21-22-19(23)14-7-6-13(24-2)10-16(14)25-3/h6-11H,5H2,1-4H3,(H,22,23)/b21-11-
InChIKeyLZQDGZCYBRQNDP-NHDPSOOVSA-N
XLogP3.64
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6134975
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376714
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148844
N-[(Z)-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395065
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148839
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523358
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137122703
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509515
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide (CID 6301205) is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide is CCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OC)cc2OC)cc1OC.
What is the InChIKey of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
The InChIKey is LZQDGZCYBRQNDP-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H21BrN2O5/c1-5-27-18-15(20)8-12(9-17(18)26-4)11-21-22-19(23)14-7-6-13(24-2)10-16(14)25-3/h6-11H,5H2,1-4H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide has a molecular weight of 437.29 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide is sourced from PubChem (CID 6301205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).