(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

C17H17BrN2O4 — CID 126270849

IUPAC(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCOc1cc(OC)c(/C=N\NC(=O)[C@@H](O)c2ccccc2)cc1Br
InChIInChI=1S/C17H17BrN2O4/c1-23-14-9-15(24-2)13(18)8-12(14)10-19-20-17(22)16(21)11-6-4-3-5-7-11/h3-10,16,21H,1-2H3,(H,20,22)/b19-10-/t16-/m0/s1
InChIKeyPBVPNPBPLSDWRS-WSLMLHKMSA-N
MW393.24 g/mol
LogP2.65
Rot. Bonds6

About (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 126270849) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID126270849
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC Name(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESCOc1cc(OC)c(/C=N\NC(=O)[C@@H](O)c2ccccc2)cc1Br
InChIInChI=1S/C17H17BrN2O4/c1-23-14-9-15(24-2)13(18)8-12(14)10-19-20-17(22)16(21)11-6-4-3-5-7-11/h3-10,16,21H,1-2H3,(H,20,22)/b19-10-/t16-/m0/s1
InChIKeyPBVPNPBPLSDWRS-WSLMLHKMSA-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

2-(4-bromophenyl)-N-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxyacetamide
CID 4108357
2-bromo-N-[1-[2-[(5-bromo-2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3901967
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379985
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136914839
2-(2-bromophenoxy)-N-[(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3348101
N-[(E)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(3-methylanilino)propanamide
CID 75539036
(2R)-N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 136816629
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
(2R)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5414506
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135782039
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135533720

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 126270849) is (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is COc1cc(OC)c(/C=N\NC(=O)[C@@H](O)c2ccccc2)cc1Br.
What is the InChIKey of (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is PBVPNPBPLSDWRS-WSLMLHKMSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-23-14-9-15(24-2)13(18)8-12(14)10-19-20-17(22)16(21)11-6-4-3-5-7-11/h3-10,16,21H,1-2H3,(H,20,22)/b19-10-/t16-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide 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 (2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 126270849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).