5-(3-aminobutanoylamino)-2-fluorobenzamide

C11H14FN3O2 — CID 60837810

IUPAC5-(3-aminobutanoylamino)-2-fluorobenzamide
SMILESCC(N)CC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H14FN3O2/c1-6(13)4-10(16)15-7-2-3-9(12)8(5-7)11(14)17/h2-3,5-6H,4,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyJDVSNXIOQUBXOO-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.60
Rot. Bonds4

About 5-(3-aminobutanoylamino)-2-fluorobenzamide

5-(3-aminobutanoylamino)-2-fluorobenzamide (PubChem CID 60837810) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-(3-aminobutanoylamino)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(3-aminobutanoylamino)-2-fluorobenzamide
PubChem CID60837810
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-(3-aminobutanoylamino)-2-fluorobenzamide
SMILESCC(N)CC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H14FN3O2/c1-6(13)4-10(16)15-7-2-3-9(12)8(5-7)11(14)17/h2-3,5-6H,4,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyJDVSNXIOQUBXOO-UHFFFAOYSA-N
XLogP0.60
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
CID 60853756
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
5-[(6-amino-2-methylheptanoyl)amino]-2-fluorobenzamide
CID 65290752
N-(3-carbamothioyl-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63832914
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminobutanoylamino)-2-fluorobenzamide?
The IUPAC name of 5-(3-aminobutanoylamino)-2-fluorobenzamide (CID 60837810) is 5-(3-aminobutanoylamino)-2-fluorobenzamide.
What is the SMILES notation for 5-(3-aminobutanoylamino)-2-fluorobenzamide?
The canonical SMILES for 5-(3-aminobutanoylamino)-2-fluorobenzamide is CC(N)CC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-(3-aminobutanoylamino)-2-fluorobenzamide?
The InChIKey is JDVSNXIOQUBXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-6(13)4-10(16)15-7-2-3-9(12)8(5-7)11(14)17/h2-3,5-6H,4,13H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-(3-aminobutanoylamino)-2-fluorobenzamide?
5-(3-aminobutanoylamino)-2-fluorobenzamide has a molecular weight of 239.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminobutanoylamino)-2-fluorobenzamide is sourced from PubChem (CID 60837810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).