2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

C20H16N2O5 — CID 126269614

IUPAC2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(/C=N\NC(=O)[C@H](O)c2ccccc2)o1
InChIInChI=1S/C20H16N2O5/c23-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(27-14)15-8-4-5-9-16(15)20(25)26/h1-12,18,23H,(H,22,24)(H,25,26)/b21-12-/t18-/m1/s1
InChIKeyMSUFPADKDGLMNZ-UZQMFHLOSA-N
MW364.36 g/mol
LogP2.83
Rot. Bonds6

About 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 126269614) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID126269614
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(/C=N\NC(=O)[C@H](O)c2ccccc2)o1
InChIInChI=1S/C20H16N2O5/c23-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(27-14)15-8-4-5-9-16(15)20(25)26/h1-12,18,23H,(H,22,24)(H,25,26)/b21-12-/t18-/m1/s1
InChIKeyMSUFPADKDGLMNZ-UZQMFHLOSA-N
XLogP2.83
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.83
H-Bond Donors ≤ 53
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-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126269619
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
2-chloro-5-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126267693
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
N-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 3398887
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
(2R)-N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126153717
2-[5-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5419728
2-[5-[(thiophene-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 921616
N-[(E)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 21379998
5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126223635

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 126269614) is 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(O)c1ccccc1-c1ccc(/C=N\NC(=O)[C@H](O)c2ccccc2)o1.
What is the InChIKey of 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is MSUFPADKDGLMNZ-UZQMFHLOSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(27-14)15-8-4-5-9-16(15)20(25)26/h1-12,18,23H,(H,22,24)(H,25,26)/b21-12-/t18-/m1/s1.
What are the key properties of 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid?
2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 364.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 126269614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).