2-chloro-6-fluoro-N-(oxan-4-yl)benzamide

C12H13ClFNO2 — CID 110726834

IUPAC2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO2/c13-9-2-1-3-10(14)11(9)12(16)15-8-4-6-17-7-5-8/h1-3,8H,4-7H2,(H,15,16)
InChIKeyZALXYQFVPNKNRX-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.39
Rot. Bonds2

About 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide

2-chloro-6-fluoro-N-(oxan-4-yl)benzamide (PubChem CID 110726834) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
PubChem CID110726834
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO2/c13-9-2-1-3-10(14)11(9)12(16)15-8-4-6-17-7-5-8/h1-3,8H,4-7H2,(H,15,16)
InChIKeyZALXYQFVPNKNRX-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
CID 61231775
2-chloro-6-fluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108558699
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 170430073
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
CID 108558645
2-chloro-6-fluoro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039843
2-chloro-N-[1-(4-chlorobutanoyl)piperidin-4-yl]-6-fluorobenzamide
CID 108563078
2-chloro-6-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]benzamide
CID 118774564
2-chloro-6-fluoro-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 108558668
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide (CID 110726834) is 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide?
The InChIKey is ZALXYQFVPNKNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-9-2-1-3-10(14)11(9)12(16)15-8-4-6-17-7-5-8/h1-3,8H,4-7H2,(H,15,16).
What are the key properties of 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide?
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide has a molecular weight of 257.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 110726834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).