2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide

C24H24BrN3O2 — CID 5168046

IUPAC2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24BrN3O2/c1-2-22(27-21-14-12-20(25)13-15-21)24(29)28-26-16-19-10-6-7-11-23(19)30-17-18-8-4-3-5-9-18/h3-16,22,27H,2,17H2,1H3,(H,28,29)
InChIKeyXLLJUWBSKAEPTE-UHFFFAOYSA-N
MW466.38 g/mol
LogP5.37
Rot. Bonds9

About 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide

2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide (PubChem CID 5168046) has the molecular formula C24H24BrN3O2 and a molecular weight of 466.38 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide
PubChem CID5168046
Molecular FormulaC24H24BrN3O2
Molecular Weight466.38 g/mol
Exact Mass465.11
IUPAC Name2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide
SMILESCCC(Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24BrN3O2/c1-2-22(27-21-14-12-20(25)13-15-21)24(29)28-26-16-19-10-6-7-11-23(19)30-17-18-8-4-3-5-9-18/h3-16,22,27H,2,17H2,1H3,(H,28,29)
InChIKeyXLLJUWBSKAEPTE-UHFFFAOYSA-N
XLogP5.37
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.38
LogP ≤ 55.37
H-Bond Donors ≤ 52
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

2-(4-bromoanilino)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 3810139
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135822355
2-(4-bromophenyl)-2-hydroxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6153999
2-(4-bromoanilino)-N-[(2-fluorophenyl)methylideneamino]butanamide
CID 3470743
(2S)-N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyanilino)propanamide
CID 6874182
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135764360
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]butanamide
CID 3535801
(2S)-2-(4-bromoanilino)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]butanamide
CID 6989360
2-(4-bromoanilino)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]butanamide
CID 135614393
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
(2S)-2-(4-bromoanilino)-N-[(E)-1H-indol-3-ylmethylideneamino]butanamide
CID 135689021

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide (CID 5168046) is 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide is CCC(Nc1ccc(Br)cc1)C(=O)NN=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide?
The InChIKey is XLLJUWBSKAEPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O2/c1-2-22(27-21-14-12-20(25)13-15-21)24(29)28-26-16-19-10-6-7-11-23(19)30-17-18-8-4-3-5-9-18/h3-16,22,27H,2,17H2,1H3,(H,28,29).
What are the key properties of 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide?
2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide has a molecular weight of 466.38 g/mol, XLogP of 5.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 5168046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).