N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide

C17H13FN2O2S — CID 150946736

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C17H13FN2O2S/c18-13-9-11(21)4-5-12(13)17(22)20-15-8-10(3-6-14(15)19)16-2-1-7-23-16/h1-9,21H,19H2,(H,20,22)
InChIKeyLJFKDCOBBIFUQL-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.09
Rot. Bonds3

About N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide

N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide (PubChem CID 150946736) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide
PubChem CID150946736
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C17H13FN2O2S/c18-13-9-11(21)4-5-12(13)17(22)20-15-8-10(3-6-14(15)19)16-2-1-7-23-16/h1-9,21H,19H2,(H,20,22)
InChIKeyLJFKDCOBBIFUQL-UHFFFAOYSA-N
XLogP4.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-methylsulfanylbenzamide
CID 168913825
(E)-N-(2-amino-5-thiophen-2-ylphenyl)but-2-enamide
CID 59737518
3-amino-N-(2-amino-5-thiophen-2-ylphenyl)-4-hydrazinylbenzamide
CID 143026776
N-(2-amino-5-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 59736777
N-(2-amino-5-thiophen-2-ylphenyl)-4-(phenylsulfonimidoyl)benzamide
CID 168792402
N-(2-amino-5-thiophen-2-ylphenyl)-3,4-dimethoxybenzamide
CID 59736817
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy-(4-fluorophenyl)-oxophosphanium
CID 69091409
bis[[3-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methoxy]-oxophosphanium
CID 69000333
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-(2-amino-5-thiophen-2-ylphenyl)-5-bromo-6-oxo-1H-pyridine-3-carboxamide
CID 59737416

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide (CID 150946736) is N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is LJFKDCOBBIFUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-13-9-11(21)4-5-12(13)17(22)20-15-8-10(3-6-14(15)19)16-2-1-7-23-16/h1-9,21H,19H2,(H,20,22).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 150946736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).