(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide

C16H15FN2O2 — CID 6940689

IUPAC(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESC/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11(12-7-9-14(17)10-8-12)18-19-16(21)15(20)13-5-3-2-4-6-13/h2-10,15,20H,1H3,(H,19,21)/b18-11+/t15-/m1/s1
InChIKeyXMTQJVOLWGQJKO-CLXYIWAZSA-N
MW286.31 g/mol
LogP2.40
Rot. Bonds4

About (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide

(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 6940689) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID6940689
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESC/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11(12-7-9-14(17)10-8-12)18-19-16(21)15(20)13-5-3-2-4-6-13/h2-10,15,20H,1H3,(H,19,21)/b18-11+/t15-/m1/s1
InChIKeyXMTQJVOLWGQJKO-CLXYIWAZSA-N
XLogP2.40
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 827608
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6341466
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
CID 51414732
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
N-[4-[(Z)-N-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
CID 40568661
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
CID 5334872
(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6345926

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide (CID 6940689) is (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide is C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is XMTQJVOLWGQJKO-CLXYIWAZSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11(12-7-9-14(17)10-8-12)18-19-16(21)15(20)13-5-3-2-4-6-13/h2-10,15,20H,1H3,(H,19,21)/b18-11+/t15-/m1/s1.
What are the key properties of (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 286.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 6940689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).