5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide

C17H19FN2O3 — CID 90306153

IUPAC5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide
SMILESCC(C)COc1ccc(CF)cc1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C17H19FN2O3/c1-11(2)10-23-15-4-3-12(9-18)7-14(15)17(22)20-13-5-6-19-16(21)8-13/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyKTCDMBAUYOHQHP-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.13
Rot. Bonds6

About 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide

5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide (PubChem CID 90306153) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide
PubChem CID90306153
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide
SMILESCC(C)COc1ccc(CF)cc1C(=O)Nc1cc[nH]c(=O)c1
InChIInChI=1S/C17H19FN2O3/c1-11(2)10-23-15-4-3-12(9-18)7-14(15)17(22)20-13-5-6-19-16(21)8-13/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21,22)
InChIKeyKTCDMBAUYOHQHP-UHFFFAOYSA-N
XLogP3.13
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
CID 90302339
5-fluoro-N-(2-oxo-1H-pyridin-4-yl)-2-(4-propan-2-ylphenoxy)benzamide
CID 78320582
2-(cyclopentylmethoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 90034788
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
5-bromo-N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 17050839
4-methylphenol;2-(4-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethoxy)benzamide
CID 157153109
5-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17204643
5-bromo-2-(2-methylpropoxy)-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157667
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-(3-acetamido-4-methylphenyl)-2-(2-methylpropoxy)benzamide
CID 54777043
2-(2-methylpropoxy)-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235611

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide?
The IUPAC name of 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide (CID 90306153) is 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide.
What is the SMILES notation for 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide?
The canonical SMILES for 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide is CC(C)COc1ccc(CF)cc1C(=O)Nc1cc[nH]c(=O)c1.
What is the InChIKey of 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide?
The InChIKey is KTCDMBAUYOHQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-11(2)10-23-15-4-3-12(9-18)7-14(15)17(22)20-13-5-6-19-16(21)8-13/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide?
5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide has a molecular weight of 318.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(2-methylpropoxy)-N-(2-oxo-1H-pyridin-4-yl)benzamide is sourced from PubChem (CID 90306153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).