2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C15H13FN4O4 — CID 135804461

IUPAC2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H13FN4O4/c16-11-1-3-12(4-2-11)17-9-15(22)19-18-8-10-7-13(20(23)24)5-6-14(10)21/h1-8,17,21H,9H2,(H,19,22)/b18-8+
InChIKeyKNBXAYPXOLHHPA-QGMBQPNBSA-N
MW332.29 g/mol
LogP2.00
Rot. Bonds6

About 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135804461) has the molecular formula C15H13FN4O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135804461
Molecular FormulaC15H13FN4O4
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H13FN4O4/c16-11-1-3-12(4-2-11)17-9-15(22)19-18-8-10-7-13(20(23)24)5-6-14(10)21/h1-8,17,21H,9H2,(H,19,22)/b18-8+
InChIKeyKNBXAYPXOLHHPA-QGMBQPNBSA-N
XLogP2.00
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-(3,5-dibromo-4-methylanilino)-N'-(2-hydroxy-5-nitrobenzylidene)acetohydrazide
CID 135419707
N'-[(1E)-(5-hydroxy-2-nitrophenyl)methylene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 9557028
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135650721
2-Hydroxy-5-nitrobenzaldehyde methyl(phenyl)hydrazone
CID 135498016
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]acetamide
CID 135873632
1-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-3-phenylurea
CID 135421604
4-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-N-(2-methylphenyl)-4-oxobutanamide
CID 135425066
N-ethyl-2-[2-(2-hydroxy-5-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 135438780
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439747
N-(3-Chlorophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439752
N-(4-Bromophenyl)-3-{N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135439768
N'-(2-hydroxy-5-nitrobenzylidene)-3-(4-methyl-1-piperazinyl)propanohydrazide
CID 135478397

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135804461) is 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is O=C(CNc1ccc(F)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is KNBXAYPXOLHHPA-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13FN4O4/c16-11-1-3-12(4-2-11)17-9-15(22)19-18-8-10-7-13(20(23)24)5-6-14(10)21/h1-8,17,21H,9H2,(H,19,22)/b18-8+.
What are the key properties of 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 332.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135804461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).