3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide

C16H23BrN2O3 — CID 9466681

IUPAC3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)N/N=C\C(CC)CC)cc1OC
InChIInChI=1S/C16H23BrN2O3/c1-5-11(6-2)10-18-19-16(20)12-8-13(17)15(22-7-3)14(9-12)21-4/h8-11H,5-7H2,1-4H3,(H,19,20)/b18-10-
InChIKeyBLAVDJXXKTZHOX-ZDLGFXPLSA-N
MW371.28 g/mol
LogP4.01
Rot. Bonds8

About 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide

3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide (PubChem CID 9466681) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide
PubChem CID9466681
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)N/N=C\C(CC)CC)cc1OC
InChIInChI=1S/C16H23BrN2O3/c1-5-11(6-2)10-18-19-16(20)12-8-13(17)15(22-7-3)14(9-12)21-4/h8-11H,5-7H2,1-4H3,(H,19,20)/b18-10-
InChIKeyBLAVDJXXKTZHOX-ZDLGFXPLSA-N
XLogP4.01
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-ethylbutylideneamino]-3,4,5-trimethoxybenzamide
CID 9231940
3-bromo-4-ethoxy-N-(heptan-4-ylideneamino)-5-methoxybenzamide
CID 9466612
3-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethoxy-5-methoxybenzamide
CID 135811577
3-bromo-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-ethoxy-5-methoxybenzamide
CID 9259628
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914
3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide
CID 9466659
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-bromo-4-ethoxy-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 78796502
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
N-(2-amino-2-ethylbutyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119639659

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide (CID 9466681) is 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)N/N=C\C(CC)CC)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide?
The InChIKey is BLAVDJXXKTZHOX-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-5-11(6-2)10-18-19-16(20)12-8-13(17)15(22-7-3)14(9-12)21-4/h8-11H,5-7H2,1-4H3,(H,19,20)/b18-10-.
What are the key properties of 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide?
3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide has a molecular weight of 371.28 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide is sourced from PubChem (CID 9466681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).