2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide

C11H16FN3O2 — CID 79521990

IUPAC2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
SMILESCC(O)C(N)CNc1cccc(F)c1C(N)=O
InChIInChI=1S/C11H16FN3O2/c1-6(16)8(13)5-15-9-4-2-3-7(12)10(9)11(14)17/h2-4,6,8,15-16H,5,13H2,1H3,(H2,14,17)
InChIKeyLQGXIZHCXUMREX-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.04
Rot. Bonds5

About 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide

2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide (PubChem CID 79521990) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
PubChem CID79521990
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide
SMILESCC(O)C(N)CNc1cccc(F)c1C(N)=O
InChIInChI=1S/C11H16FN3O2/c1-6(16)8(13)5-15-9-4-2-3-7(12)10(9)11(14)17/h2-4,6,8,15-16H,5,13H2,1H3,(H2,14,17)
InChIKeyLQGXIZHCXUMREX-UHFFFAOYSA-N
XLogP0.04
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
2-[(2-carbamoyl-3-fluoroanilino)methyl]butanoic acid
CID 79513210
3-amino-4-(3-fluoro-2-nitroanilino)butan-2-ol
CID 64541514
2-[(2-carbamoyl-3-fluoroanilino)methyl]pentanoic acid
CID 79513291
5-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 104683255
2-[(3,3-difluoro-1-methylcyclobutyl)methylamino]-6-fluorobenzamide
CID 138053404
2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
CID 79522672
ethyl 3-(2-carbamoyl-3-fluoroanilino)propanoate
CID 79512517
4-[(2-amino-3-hydroxybutyl)amino]benzamide
CID 64541293
2-[(2-amino-3-hydroxybutyl)amino]-4-bromobenzamide
CID 114905562
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
2-(2-carbamoyl-3-fluoroanilino)-2-methylpentanoic acid
CID 79512716

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide?
The IUPAC name of 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide (CID 79521990) is 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide.
What is the SMILES notation for 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide?
The canonical SMILES for 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide is CC(O)C(N)CNc1cccc(F)c1C(N)=O.
What is the InChIKey of 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide?
The InChIKey is LQGXIZHCXUMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-6(16)8(13)5-15-9-4-2-3-7(12)10(9)11(14)17/h2-4,6,8,15-16H,5,13H2,1H3,(H2,14,17).
What are the key properties of 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide?
2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide has a molecular weight of 241.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-hydroxybutyl)amino]-6-fluorobenzamide is sourced from PubChem (CID 79521990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).