2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide

C12H15FN2O2 — CID 140560000

IUPAC2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide
SMILESCC(C)[C@H](C(N)=O)c1cccc(F)c1C(N)=O
InChIInChI=1S/C12H15FN2O2/c1-6(2)9(11(14)16)7-4-3-5-8(13)10(7)12(15)17/h3-6,9H,1-2H3,(H2,14,16)(H2,15,17)/t9-/m0/s1
InChIKeyNOEZAGIPYQUSPN-VIFPVBQESA-N
MW238.26 g/mol
LogP1.15
Rot. Bonds4

About 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide

2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide (PubChem CID 140560000) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide
PubChem CID140560000
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide
SMILESCC(C)[C@H](C(N)=O)c1cccc(F)c1C(N)=O
InChIInChI=1S/C12H15FN2O2/c1-6(2)9(11(14)16)7-4-3-5-8(13)10(7)12(15)17/h3-6,9H,1-2H3,(H2,14,16)(H2,15,17)/t9-/m0/s1
InChIKeyNOEZAGIPYQUSPN-VIFPVBQESA-N
XLogP1.15
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 161042703
CID 161042703
2-fluoro-6-hydroxybenzamide
CID 15219200
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2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
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(2-fluoro-6-hydroxyphenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
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(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
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2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide
CID 138053404
2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
2-fluoro-6-(1-hydrazinyl-1-oxopropan-2-yl)oxybenzamide
CID 63571062
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
CID 79521990
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512519

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide?
The IUPAC name of 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide (CID 140560000) is 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide.
What is the SMILES notation for 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide?
The canonical SMILES for 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide is CC(C)[C@H](C(N)=O)c1cccc(F)c1C(N)=O.
What is the InChIKey of 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide?
The InChIKey is NOEZAGIPYQUSPN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-6(2)9(11(14)16)7-4-3-5-8(13)10(7)12(15)17/h3-6,9H,1-2H3,(H2,14,16)(H2,15,17)/t9-/m0/s1.
What are the key properties of 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide?
2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide has a molecular weight of 238.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-6-fluorobenzamide is sourced from PubChem (CID 140560000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).