3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide

C19H19BrN2O3 — CID 9466659

IUPAC3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)N/N=C2/CCc3ccccc32)cc1OC
InChIInChI=1S/C19H19BrN2O3/c1-3-25-18-15(20)10-13(11-17(18)24-2)19(23)22-21-16-9-8-12-6-4-5-7-14(12)16/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)/b21-16-
InChIKeyLXBNYQASQBIXPR-PGMHBOJBSA-N
MW403.28 g/mol
LogP3.94
Rot. Bonds5

About 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide

3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide (PubChem CID 9466659) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide
PubChem CID9466659
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)N/N=C2/CCc3ccccc32)cc1OC
InChIInChI=1S/C19H19BrN2O3/c1-3-25-18-15(20)10-13(11-17(18)24-2)19(23)22-21-16-9-8-12-6-4-5-7-14(12)16/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)/b21-16-
InChIKeyLXBNYQASQBIXPR-PGMHBOJBSA-N
XLogP3.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.94
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

3-bromo-4-ethoxy-N-(heptan-4-ylideneamino)-5-methoxybenzamide
CID 9466612
3-bromo-4-ethoxy-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26181168
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-ethoxy-N-[(Z)-2-ethylbutylideneamino]-5-methoxybenzamide
CID 9466681
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
3-bromo-4-ethoxy-N-[3-(2-fluorophenoxy)propyl]-5-methoxybenzamide
CID 39482983
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-hydroxybenzamide
CID 6517128
N-[(E)-2,3-dihydroinden-1-ylideneamino]-4-fluorobenzamide
CID 6255931
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394
3-bromo-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethoxy-5-methoxybenzamide
CID 135811577

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide (CID 9466659) is 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)N/N=C2/CCc3ccccc32)cc1OC.
What is the InChIKey of 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide?
The InChIKey is LXBNYQASQBIXPR-PGMHBOJBSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-3-25-18-15(20)10-13(11-17(18)24-2)19(23)22-21-16-9-8-12-6-4-5-7-14(12)16/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,23)/b21-16-.
What are the key properties of 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide?
3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide has a molecular weight of 403.28 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 9466659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).