(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide

C19H14BrN3O5 — CID 126153717

IUPAC(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H14BrN3O5/c20-13-6-8-15(16(10-13)23(26)27)17-9-7-14(28-17)11-21-22-19(25)18(24)12-4-2-1-3-5-12/h1-11,18,24H,(H,22,25)/b21-11-/t18-/m1/s1
InChIKeyXUQABNOGHMFFGU-UTYYKHSJSA-N
MW444.24 g/mol
LogP3.80
Rot. Bonds6

About (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide

(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 126153717) has the molecular formula C19H14BrN3O5 and a molecular weight of 444.24 g/mol. Its IUPAC name is (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID126153717
Molecular FormulaC19H14BrN3O5
Molecular Weight444.24 g/mol
Exact Mass443.01
IUPAC Name(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)[C@H](O)c1ccccc1
InChIInChI=1S/C19H14BrN3O5/c20-13-6-8-15(16(10-13)23(26)27)17-9-7-14(28-17)11-21-22-19(25)18(24)12-4-2-1-3-5-12/h1-11,18,24H,(H,22,25)/b21-11-/t18-/m1/s1
InChIKeyXUQABNOGHMFFGU-UTYYKHSJSA-N
XLogP3.80
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.24
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060929
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-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379998
N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126370444
N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6055073
2-(4-bromophenyl)-2-hydroxy-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4281066
[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino] acetate
CID 91674114
(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 1034854
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 3398887
4-bromo-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126338945
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide (CID 126153717) is (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide is O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is XUQABNOGHMFFGU-UTYYKHSJSA-N. The full InChI is InChI=1S/C19H14BrN3O5/c20-13-6-8-15(16(10-13)23(26)27)17-9-7-14(28-17)11-21-22-19(25)18(24)12-4-2-1-3-5-12/h1-11,18,24H,(H,22,25)/b21-11-/t18-/m1/s1.
What are the key properties of (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide?
(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 444.24 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 126153717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).