N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide

C11H15FN2O2 — CID 107677142

IUPACN-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
SMILESCCC(CN)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H15FN2O2/c1-2-7(6-13)14-11(16)9-4-3-8(15)5-10(9)12/h3-5,7,15H,2,6,13H2,1H3,(H,14,16)
InChIKeyFHHSGXFEZAJBDM-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.00
Rot. Bonds4

About N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide

N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide (PubChem CID 107677142) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
PubChem CID107677142
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
SMILESCCC(CN)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H15FN2O2/c1-2-7(6-13)14-11(16)9-4-3-8(15)5-10(9)12/h3-5,7,15H,2,6,13H2,1H3,(H,14,16)
InChIKeyFHHSGXFEZAJBDM-UHFFFAOYSA-N
XLogP1.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminobutan-2-yl)-4-chloro-2-fluorobenzamide
CID 65194048
N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
N-(1-aminobutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 63754997
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
CID 107677141
N-(1-aminohexan-2-yl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119665363
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
N-(2-bromobutyl)-2-fluoro-4-hydroxybenzamide
CID 107677727

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide (CID 107677142) is N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide is CCC(CN)NC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide?
The InChIKey is FHHSGXFEZAJBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-7(6-13)14-11(16)9-4-3-8(15)5-10(9)12/h3-5,7,15H,2,6,13H2,1H3,(H,14,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide?
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide has a molecular weight of 226.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107677142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).