(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide

C13H10Br2N2O3 — CID 1034854

IUPAC(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=Cc1cc(Br)c(Br)o1)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H10Br2N2O3/c14-10-6-9(20-12(10)15)7-16-17-13(19)11(18)8-4-2-1-3-5-8/h1-7,11,18H,(H,17,19)/t11-/m0/s1
InChIKeyLNOBHEDZTQNYJT-NSHDSACASA-N
MW402.04 g/mol
LogP2.99
Rot. Bonds4

About (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide

(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 1034854) has the molecular formula C13H10Br2N2O3 and a molecular weight of 402.04 g/mol. Its IUPAC name is (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID1034854
Molecular FormulaC13H10Br2N2O3
Molecular Weight402.04 g/mol
Exact Mass399.91
IUPAC Name(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=Cc1cc(Br)c(Br)o1)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H10Br2N2O3/c14-10-6-9(20-12(10)15)7-16-17-13(19)11(18)8-4-2-1-3-5-8/h1-7,11,18H,(H,17,19)/t11-/m0/s1
InChIKeyLNOBHEDZTQNYJT-NSHDSACASA-N
XLogP2.99
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 52.99
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-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
CID 5332613
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379998
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 2880053
(2S)-N-[(Z)-(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126270849
1-[(4,5-dibromofuran-2-yl)methylideneamino]-3-phenylthiourea
CID 1282032
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 3398887
2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269614
2-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269619
N-[(Z)-3-[(2E)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 5335415
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 1034854) is (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide is O=C(NN=Cc1cc(Br)c(Br)o1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is LNOBHEDZTQNYJT-NSHDSACASA-N. The full InChI is InChI=1S/C13H10Br2N2O3/c14-10-6-9(20-12(10)15)7-16-17-13(19)11(18)8-4-2-1-3-5-8/h1-7,11,18H,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide?
(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 402.04 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 1034854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).