N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide

C17H17FN2O3 — CID 75432569

IUPACN-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-3-16(22)19-12-6-9-15(21)14(10-12)17(23)20(2)13-7-4-11(18)5-8-13/h4-10,21H,3H2,1-2H3,(H,19,22)
InChIKeyNJOBVTJFPWVILG-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.16
Rot. Bonds4

About N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide

N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide (PubChem CID 75432569) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide
PubChem CID75432569
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)N(C)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O3/c1-3-16(22)19-12-6-9-15(21)14(10-12)17(23)20(2)13-7-4-11(18)5-8-13/h4-10,21H,3H2,1-2H3,(H,19,22)
InChIKeyNJOBVTJFPWVILG-UHFFFAOYSA-N
XLogP3.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
5-fluoro-2-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936071
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate
CID 122149828
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-hydroxy-5-(propanoylamino)benzamide
CID 86845093
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide
CID 135824450
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
4-(ethylsulfonylamino)-N-(4-fluorophenyl)-N-methylbenzamide
CID 100785367
5-chloro-2-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61061330
2-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide (CID 75432569) is N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide is CCC(=O)Nc1ccc(O)c(C(=O)N(C)c2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide?
The InChIKey is NJOBVTJFPWVILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-3-16(22)19-12-6-9-15(21)14(10-12)17(23)20(2)13-7-4-11(18)5-8-13/h4-10,21H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide?
N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide has a molecular weight of 316.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-hydroxy-N-methyl-5-(propanoylamino)benzamide is sourced from PubChem (CID 75432569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).