N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide

C24H22BrN3O3 — CID 5244013

IUPACN-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Br)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22BrN3O3/c25-21-8-4-5-9-22(21)27-23(29)14-15-24(30)28-26-16-18-10-12-20(13-11-18)31-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2,(H,27,29)(H,28,30)
InChIKeyDIDWPLLDBKFFPT-UHFFFAOYSA-N
MW480.36 g/mol
LogP4.90
Rot. Bonds9

About N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide

N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide (PubChem CID 5244013) has the molecular formula C24H22BrN3O3 and a molecular weight of 480.36 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
PubChem CID5244013
Molecular FormulaC24H22BrN3O3
Molecular Weight480.36 g/mol
Exact Mass479.08
IUPAC NameN-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1Br)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22BrN3O3/c25-21-8-4-5-9-22(21)27-23(29)14-15-24(30)28-26-16-18-10-12-20(13-11-18)31-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2,(H,27,29)(H,28,30)
InChIKeyDIDWPLLDBKFFPT-UHFFFAOYSA-N
XLogP4.90
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 54.90
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

N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
N-(2-bromophenyl)-N'-[(Z)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6018291
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
2-(4-bromoanilino)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126367989
N'-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3955982
N'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide (CID 5244013) is N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccccc1Br)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
The InChIKey is DIDWPLLDBKFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O3/c25-21-8-4-5-9-22(21)27-23(29)14-15-24(30)28-26-16-18-10-12-20(13-11-18)31-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2,(H,27,29)(H,28,30).
What are the key properties of N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide?
N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide has a molecular weight of 480.36 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 5244013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).