2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

C16H14F2N2O3 — CID 136631842

IUPAC2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1C=NNC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N2O3/c1-23-15-8-14(21)3-2-11(15)9-19-20-16(22)6-10-4-12(17)7-13(18)5-10/h2-5,7-9,21H,6H2,1H3,(H,20,22)
InChIKeyKFDDXDBQJYFQAJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.37
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 136631842) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID136631842
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1C=NNC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C16H14F2N2O3/c1-23-15-8-14(21)3-2-11(15)9-19-20-16(22)6-10-4-12(17)7-13(18)5-10/h2-5,7-9,21H,6H2,1H3,(H,20,22)
InChIKeyKFDDXDBQJYFQAJ-UHFFFAOYSA-N
XLogP2.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135489099
2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 137304420
N'-[4-methoxy-3-(methoxymethyl)benzylidene]-2-(4-methoxyphenyl)acetohydrazide
CID 5412031
4-(4-methoxyphenyl)-N'-[(E)-(2-methoxyphenyl)methylidene]butanehydrazide
CID 9596425
Hydroxy-phenyl-acetic acid (4-ethoxy-2-hydroxy-benzylidene)-hydrazide
CID 135537517
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
CID 135886613
Phenyl-thioacetic acid [1-(2-hydroxy-4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029182
2-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 145971846
(4-Propoxy-phenyl)-acetic acid (4-fluoro-benzylidene)-hydrazide
CID 6083617
N'~1~,N'~6~-bis[(E)-(2,4-dihydroxyphenyl)methylidene]hexanedihydrazide
CID 135555030
3-(4-hydroxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 9582873

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (CID 136631842) is 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is COc1cc(O)ccc1C=NNC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is KFDDXDBQJYFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c1-23-15-8-14(21)3-2-11(15)9-19-20-16(22)6-10-4-12(17)7-13(18)5-10/h2-5,7-9,21H,6H2,1H3,(H,20,22).
What are the key properties of 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 320.30 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136631842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).