(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide

C15H13N3O4 — CID 129441465

IUPAC(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13N3O4/c19-14(12-6-2-1-3-7-12)15(20)17-16-10-11-5-4-8-13(9-11)18(21)22/h1-10,14,19H,(H,17,20)/t14-/m1/s1
InChIKeyZSFBWBXPWTVDHL-CQSZACIVSA-N
MW299.29 g/mol
LogP1.78
Rot. Bonds5

About (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide

(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 129441465) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID129441465
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(NN=Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13N3O4/c19-14(12-6-2-1-3-7-12)15(20)17-16-10-11-5-4-8-13(9-11)18(21)22/h1-10,14,19H,(H,17,20)/t14-/m1/s1
InChIKeyZSFBWBXPWTVDHL-CQSZACIVSA-N
XLogP1.78
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(2R)-2-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 7317170
2-methoxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3910742
2-hydroxy-N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3446242
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4653264
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
(2S)-2-(2,6-dimethylanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide
CID 5410900
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 110511230
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 4618895

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 129441465) is (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide is O=C(NN=Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is ZSFBWBXPWTVDHL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14(12-6-2-1-3-7-12)15(20)17-16-10-11-5-4-8-13(9-11)18(21)22/h1-10,14,19H,(H,17,20)/t14-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide?
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 299.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 129441465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).