N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide

C17H19FN2O2 — CID 50976988

IUPACN-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(C)N(Cc1cccnc1)C(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C17H19FN2O2/c1-3-12(2)20(11-13-5-4-8-19-10-13)17(22)14-6-7-15(18)16(21)9-14/h4-10,12,21H,3,11H2,1-2H3
InChIKeyNKTQUPMMKXGXIR-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.37
Rot. Bonds5

About N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide

N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 50976988) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID50976988
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCCC(C)N(Cc1cccnc1)C(=O)c1ccc(F)c(O)c1
InChIInChI=1S/C17H19FN2O2/c1-3-12(2)20(11-13-5-4-8-19-10-13)17(22)14-6-7-15(18)16(21)9-14/h4-10,12,21H,3,11H2,1-2H3
InChIKeyNKTQUPMMKXGXIR-UHFFFAOYSA-N
XLogP3.37
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-(5-fluoro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5819759
(E)-1-(3-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 16304855
(E)-3-(3-hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 6020915
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
CID 134475022
Nicotine salicylate
CID 20056613
Anabasine, derivative of
CID 2902985
N-[1-[8-(3-Amino-propylamino)-octylcarbamoyl]-2-(4-hydroxy-phenyl)-ethyl]-isonicotinamide
CID 44368885
5-[2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-N,N-dimethylpyridine-3-carboxamide
CID 53239954
(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-4-ylphenyl)prop-2-en-1-one
CID 155518810
(E)-1-(3-hydroxyphenyl)-3-(4-pyridin-3-ylphenyl)prop-2-en-1-one
CID 155530544
N-hydroxy-4-[(E)-2-[2-(3-hydroxyphenyl)-4-pyridinyl]ethenyl]benzamide
CID 166627726

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide (CID 50976988) is N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide is CCC(C)N(Cc1cccnc1)C(=O)c1ccc(F)c(O)c1.
What is the InChIKey of N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NKTQUPMMKXGXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-12(2)20(11-13-5-4-8-19-10-13)17(22)14-6-7-15(18)16(21)9-14/h4-10,12,21H,3,11H2,1-2H3.
What are the key properties of N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide?
N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 302.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-fluoro-3-hydroxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 50976988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).