2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide

C11H11ClFNO2 — CID 64997029

IUPAC2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFNO2/c1-6(7(2)15)14-11(16)9-4-3-8(13)5-10(9)12/h3-6H,1-2H3,(H,14,16)
InChIKeyXVQOALLJRKBJRV-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.19
Rot. Bonds3

About 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide

2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide (PubChem CID 64997029) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
PubChem CID64997029
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFNO2/c1-6(7(2)15)14-11(16)9-4-3-8(13)5-10(9)12/h3-6H,1-2H3,(H,14,16)
InChIKeyXVQOALLJRKBJRV-UHFFFAOYSA-N
XLogP2.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide (CID 64997029) is 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide is CC(=O)C(C)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide?
The InChIKey is XVQOALLJRKBJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c1-6(7(2)15)14-11(16)9-4-3-8(13)5-10(9)12/h3-6H,1-2H3,(H,14,16).
What are the key properties of 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide?
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide has a molecular weight of 243.66 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide is sourced from PubChem (CID 64997029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).