2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide

C24H22BrN3O3 — CID 3978126

IUPAC2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Br)C(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H22BrN3O3/c1-17(27-24(30)20-12-6-7-13-21(20)25)23(29)28-26-15-19-11-5-8-14-22(19)31-16-18-9-3-2-4-10-18/h2-15,17H,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyOBRUWMUZNQCKKS-UHFFFAOYSA-N
MW480.36 g/mol
LogP4.30
Rot. Bonds8

About 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide

2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide (PubChem CID 3978126) has the molecular formula C24H22BrN3O3 and a molecular weight of 480.36 g/mol. Its IUPAC name is 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
PubChem CID3978126
Molecular FormulaC24H22BrN3O3
Molecular Weight480.36 g/mol
Exact Mass479.08
IUPAC Name2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Br)C(=O)NN=Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H22BrN3O3/c1-17(27-24(30)20-12-6-7-13-21(20)25)23(29)28-26-15-19-11-5-8-14-22(19)31-16-18-9-3-2-4-10-18/h2-15,17H,16H2,1H3,(H,27,30)(H,28,29)
InChIKeyOBRUWMUZNQCKKS-UHFFFAOYSA-N
XLogP4.30
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.36
LogP ≤ 54.30
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-bromo-N-[1-oxo-1-[2-[(2-propoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3888666
N-[3-benzylsulfanyl-1-oxo-1-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]-2-bromobenzamide
CID 171978962
2-bromo-N-[1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4241637
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
2-bromo-N-[1-[2-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4553320
2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3450201
2-bromo-N-[1-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3428880
2-bromo-N-[1-[2-[(5-chloro-2-propoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3896973
2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3901967
2-(2-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 71960236
2-bromo-N-[1-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3551447
2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6285866

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide (CID 3978126) is 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1Br)C(=O)NN=Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The InChIKey is OBRUWMUZNQCKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O3/c1-17(27-24(30)20-12-6-7-13-21(20)25)23(29)28-26-15-19-11-5-8-14-22(19)31-16-18-9-3-2-4-10-18/h2-15,17H,16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide has a molecular weight of 480.36 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 3978126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).