N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide

C20H22BrClN2O2 — CID 3367560

IUPACN-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide
SMILESCCCCCCOc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22BrClN2O2/c1-2-3-4-5-12-26-19-11-8-17(21)13-16(19)14-23-24-20(25)15-6-9-18(22)10-7-15/h6-11,13-14H,2-5,12H2,1H3,(H,24,25)
InChIKeyQISCSWFIZFEJMK-UHFFFAOYSA-N
MW437.77 g/mol
LogP5.83
Rot. Bonds9

About N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide

N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide (PubChem CID 3367560) has the molecular formula C20H22BrClN2O2 and a molecular weight of 437.77 g/mol. Its IUPAC name is N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide
PubChem CID3367560
Molecular FormulaC20H22BrClN2O2
Molecular Weight437.77 g/mol
Exact Mass436.06
IUPAC NameN-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide
SMILESCCCCCCOc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22BrClN2O2/c1-2-3-4-5-12-26-19-11-8-17(21)13-16(19)14-23-24-20(25)15-6-9-18(22)10-7-15/h6-11,13-14H,2-5,12H2,1H3,(H,24,25)
InChIKeyQISCSWFIZFEJMK-UHFFFAOYSA-N
XLogP5.83
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.77
LogP ≤ 55.83
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-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
CID 3312356
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
[(5-bromo-2-hexoxyphenyl)methylideneamino]urea
CID 168531991
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 51061812
4-bromo-N-[(E)-[5-bromo-2-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126263330
N-[1-[2-[(5-bromo-2-ethoxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 4642275
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
[4-bromo-2-[[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3534843
[4-bromo-2-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,2-dimethylpropanoate
CID 4137892
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-hexoxyphenyl)methylideneamino]benzamide
CID 6321755
N-[(E)-(5-bromo-2-octoxyphenyl)methylideneamino]-2-phenylacetamide
CID 124552591

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide (CID 3367560) is N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide is CCCCCCOc1ccc(Br)cc1C=NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide?
The InChIKey is QISCSWFIZFEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O2/c1-2-3-4-5-12-26-19-11-8-17(21)13-16(19)14-23-24-20(25)15-6-9-18(22)10-7-15/h6-11,13-14H,2-5,12H2,1H3,(H,24,25).
What are the key properties of N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide?
N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide has a molecular weight of 437.77 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hexoxyphenyl)methylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 3367560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).