2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

C13H17FN2O2 — CID 40623473

IUPAC2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCC(C)CNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-9(2)7-15-12(17)8-16-13(18)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXKFQZMLYDQJQCZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.33
Rot. Bonds5

About 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 40623473) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID40623473
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCC(C)CNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-9(2)7-15-12(17)8-16-13(18)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXKFQZMLYDQJQCZ-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
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2-fluoro-N-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]benzamide
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N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
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2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 40623473) is 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is CC(C)CNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is XKFQZMLYDQJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9(2)7-15-12(17)8-16-13(18)10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 40623473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).