2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide

C17H17BrN2O4 — CID 4108357

IUPAC2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O4/c1-23-14-7-8-15(24-2)12(9-14)10-19-20-17(22)16(21)11-3-5-13(18)6-4-11/h3-10,16,21H,1-2H3,(H,20,22)
InChIKeyTWANPAGFQVOSID-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide

2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide (PubChem CID 4108357) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide
PubChem CID4108357
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide
SMILESCOc1ccc(OC)c(C=NNC(=O)C(O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O4/c1-23-14-7-8-15(24-2)12(9-14)10-19-20-17(22)16(21)11-3-5-13(18)6-4-11/h3-10,16,21H,1-2H3,(H,20,22)
InChIKeyTWANPAGFQVOSID-UHFFFAOYSA-N
XLogP2.65
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.65
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

(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126270849
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
CID 3406373
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-N'-(4-methoxyphenyl)-2-methylpropanediamide
CID 3393600
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19182694
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207980
4-bromo-N-[1-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 71833539
(2S)-2-(4-bromoanilino)-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]butanamide
CID 6989360
4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833653

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide (CID 4108357) is 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide is COc1ccc(OC)c(C=NNC(=O)C(O)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide?
The InChIKey is TWANPAGFQVOSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-23-14-7-8-15(24-2)12(9-14)10-19-20-17(22)16(21)11-3-5-13(18)6-4-11/h3-10,16,21H,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide?
2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide has a molecular weight of 393.24 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide is sourced from PubChem (CID 4108357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).