5-(4-aminobutanoylamino)-2-fluorobenzamide

C11H14FN3O2 — CID 43706573

IUPAC5-(4-aminobutanoylamino)-2-fluorobenzamide
SMILESNCCCC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H14FN3O2/c12-9-4-3-7(6-8(9)11(14)17)15-10(16)2-1-5-13/h3-4,6H,1-2,5,13H2,(H2,14,17)(H,15,16)
InChIKeyHWZZKHGUPPCVDX-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.60
Rot. Bonds5

About 5-(4-aminobutanoylamino)-2-fluorobenzamide

5-(4-aminobutanoylamino)-2-fluorobenzamide (PubChem CID 43706573) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 5-(4-aminobutanoylamino)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(4-aminobutanoylamino)-2-fluorobenzamide
PubChem CID43706573
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name5-(4-aminobutanoylamino)-2-fluorobenzamide
SMILESNCCCC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H14FN3O2/c12-9-4-3-7(6-8(9)11(14)17)15-10(16)2-1-5-13/h3-4,6H,1-2,5,13H2,(H2,14,17)(H,15,16)
InChIKeyHWZZKHGUPPCVDX-UHFFFAOYSA-N
XLogP0.60
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

5-(4-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712178
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
N-(3-carbamothioyl-4-fluorophenyl)pentanamide
CID 62316646
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
5-(6-aminohexanoylamino)-2-chlorobenzamide
CID 43707251
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
5-(4-aminobutanoylamino)-2-bromobenzoic acid
CID 115296408
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
4,4,4-trifluoro-N-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]butanamide
CID 77099519
5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutanoylamino)-2-fluorobenzamide?
The IUPAC name of 5-(4-aminobutanoylamino)-2-fluorobenzamide (CID 43706573) is 5-(4-aminobutanoylamino)-2-fluorobenzamide.
What is the SMILES notation for 5-(4-aminobutanoylamino)-2-fluorobenzamide?
The canonical SMILES for 5-(4-aminobutanoylamino)-2-fluorobenzamide is NCCCC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-(4-aminobutanoylamino)-2-fluorobenzamide?
The InChIKey is HWZZKHGUPPCVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-9-4-3-7(6-8(9)11(14)17)15-10(16)2-1-5-13/h3-4,6H,1-2,5,13H2,(H2,14,17)(H,15,16).
What are the key properties of 5-(4-aminobutanoylamino)-2-fluorobenzamide?
5-(4-aminobutanoylamino)-2-fluorobenzamide has a molecular weight of 239.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutanoylamino)-2-fluorobenzamide is sourced from PubChem (CID 43706573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).