N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide

C20H23BrN2O2 — CID 4930486

IUPACN-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)20(24)23-22-15-16-6-10-18(21)11-7-16/h6-13,15H,2-5,14H2,1H3,(H,23,24)
InChIKeySQIQKCLQWLNUOY-UHFFFAOYSA-N
MW403.32 g/mol
LogP5.17
Rot. Bonds9

About N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide

N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide (PubChem CID 4930486) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
PubChem CID4930486
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC NameN-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C20H23BrN2O2/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)20(24)23-22-15-16-6-10-18(21)11-7-16/h6-13,15H,2-5,14H2,1H3,(H,23,24)
InChIKeySQIQKCLQWLNUOY-UHFFFAOYSA-N
XLogP5.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.32
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide
CID 4541932
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4077367
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
N-[(4-bromophenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 4925636
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
3-fluoro-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3886255
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide (CID 4930486) is N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NN=Cc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide?
The InChIKey is SQIQKCLQWLNUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-2-3-4-5-14-25-19-12-8-17(9-13-19)20(24)23-22-15-16-6-10-18(21)11-7-16/h6-13,15H,2-5,14H2,1H3,(H,23,24).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide?
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide has a molecular weight of 403.32 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide is sourced from PubChem (CID 4930486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).