5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

C18H12F2N2O2S — CID 86304886

IUPAC5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C18H12F2N2O2S/c19-12-4-5-14(16(20)9-12)11-3-6-17(23)15(8-11)18(24)22-21-10-13-2-1-7-25-13/h1-10,23H,(H,22,24)/b21-10+
InChIKeyRHGOGMSJNPIUCE-UFFVCSGVSA-N
MW358.37 g/mol
LogP4.16
Rot. Bonds4

About 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide

5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (PubChem CID 86304886) has the molecular formula C18H12F2N2O2S and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
PubChem CID86304886
Molecular FormulaC18H12F2N2O2S
Molecular Weight358.37 g/mol
Exact Mass358.06
IUPAC Name5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C18H12F2N2O2S/c19-12-4-5-14(16(20)9-12)11-3-6-17(23)15(8-11)18(24)22-21-10-13-2-1-7-25-13/h1-10,23H,(H,22,24)/b21-10+
InChIKeyRHGOGMSJNPIUCE-UFFVCSGVSA-N
XLogP4.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 71812072
2-(2-hydroxyphenyl)-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-4-carboxamide
CID 135647432
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
N-(thiophen-2-ylmethylideneamino)naphthalene-1-carboxamide
CID 4191451
N-[(2,4-difluorophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 2590173
5-(2,4-difluorophenyl)-N-(3-ethynylphenyl)-2-hydroxybenzamide
CID 71812059
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The IUPAC name of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide (CID 86304886) is 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccs1)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
The InChIKey is RHGOGMSJNPIUCE-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H12F2N2O2S/c19-12-4-5-14(16(20)9-12)11-3-6-17(23)15(8-11)18(24)22-21-10-13-2-1-7-25-13/h1-10,23H,(H,22,24)/b21-10+.
What are the key properties of 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide?
5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide has a molecular weight of 358.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-hydroxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 86304886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).