2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide

C19H19Br2N3O4 — CID 3901967

IUPAC2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(OC)c(C=NNC(=O)C(C)NC(=O)c2ccccc2Br)cc1Br
InChIInChI=1S/C19H19Br2N3O4/c1-11(23-19(26)13-6-4-5-7-14(13)20)18(25)24-22-10-12-8-15(21)17(28-3)9-16(12)27-2/h4-11H,1-3H3,(H,23,26)(H,24,25)
InChIKeyCPRMODSXGRGBPT-UHFFFAOYSA-N
MW513.19 g/mol
LogP3.50
Rot. Bonds7

About 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide

2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide (PubChem CID 3901967) has the molecular formula C19H19Br2N3O4 and a molecular weight of 513.19 g/mol. Its IUPAC name is 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
PubChem CID3901967
Molecular FormulaC19H19Br2N3O4
Molecular Weight513.19 g/mol
Exact Mass510.97
IUPAC Name2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(OC)c(C=NNC(=O)C(C)NC(=O)c2ccccc2Br)cc1Br
InChIInChI=1S/C19H19Br2N3O4/c1-11(23-19(26)13-6-4-5-7-14(13)20)18(25)24-22-10-12-8-15(21)17(28-3)9-16(12)27-2/h4-11H,1-3H3,(H,23,26)(H,24,25)
InChIKeyCPRMODSXGRGBPT-UHFFFAOYSA-N
XLogP3.50
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.19
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3551447
2-bromo-N-[1-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3473498
2-bromo-N-[1-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3939768
2-bromo-N-[1-oxo-1-[2-[(2-propoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3888666
2-bromo-N-[1-[2-[(5-chloro-2-propoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3896973
2-bromo-N-[1-[2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3998586
2-bromo-N-[1-oxo-1-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3978126
2-bromo-N-[1-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4241637
N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 75539036
(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126270849
2-bromo-N-[1-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4241843
2-bromo-N-[1-[2-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3450201

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide (CID 3901967) is 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide is COc1cc(OC)c(C=NNC(=O)C(C)NC(=O)c2ccccc2Br)cc1Br.
What is the InChIKey of 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
The InChIKey is CPRMODSXGRGBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Br2N3O4/c1-11(23-19(26)13-6-4-5-7-14(13)20)18(25)24-22-10-12-8-15(21)17(28-3)9-16(12)27-2/h4-11H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide?
2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide has a molecular weight of 513.19 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 3901967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).