N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

C15H14FN3O3 — CID 135804459

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H14FN3O3/c16-11-2-4-12(5-3-11)17-9-15(22)19-18-8-10-1-6-13(20)7-14(10)21/h1-8,17,20-21H,9H2,(H,19,22)/b18-8+
InChIKeyCIZRYTYXQAPQCI-QGMBQPNBSA-N
MW303.29 g/mol
LogP1.80
Rot. Bonds5

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 135804459) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID135804459
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C15H14FN3O3/c16-11-2-4-12(5-3-11)17-9-15(22)19-18-8-10-1-6-13(20)7-14(10)21/h1-8,17,20-21H,9H2,(H,19,22)/b18-8+
InChIKeyCIZRYTYXQAPQCI-QGMBQPNBSA-N
XLogP1.80
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135620064
N-(4-Fluorophenyl)-3-{N'-[(E)-(4-hydroxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135625972
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
1-[(2,4-Dihydroxyphenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
CID 3372994
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-toluidino)propanohydrazide
CID 135401434
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(4-fluorophenyl)propanamide
CID 135421766
N'-[(1E)-(3-allyl-2-hydroxyphenyl)methylene]-2-[(3-methylphenyl)amino]propanohydrazide
CID 135439753
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
3-{N'-[(E)-(2,4-Dihydroxyphenyl)methylidene]hydrazinecarbonyl}-N-(3-methylphenyl)propanamide
CID 135504206
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135517103
4-[[(4-Phenyl-1-piperazinyl)imino]methyl]-1,3-benzenediol
CID 135635815
2-anilino-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135765525

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (CID 135804459) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is CIZRYTYXQAPQCI-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-2-4-12(5-3-11)17-9-15(22)19-18-8-10-1-6-13(20)7-14(10)21/h1-8,17,20-21H,9H2,(H,19,22)/b18-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 303.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 135804459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).