N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide

C12H17FN2O2 — CID 113281709

IUPACN-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCCCC(CN)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O2/c1-2-3-9(7-14)15-12(17)10-6-8(13)4-5-11(10)16/h4-6,9,16H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyNBIVTNFLRXIPKO-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.39
Rot. Bonds5

About N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide

N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 113281709) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID113281709
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCCCC(CN)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H17FN2O2/c1-2-3-9(7-14)15-12(17)10-6-8(13)4-5-11(10)16/h4-6,9,16H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyNBIVTNFLRXIPKO-UHFFFAOYSA-N
XLogP1.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
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5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
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ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
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CID 106356974
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]hexanoic acid
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5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
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N-(1-aminohexan-2-yl)-5-fluoro-2-(methanesulfonamido)benzamide;hydrochloride
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CID 107956167

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide (CID 113281709) is N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide is CCCC(CN)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is NBIVTNFLRXIPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-2-3-9(7-14)15-12(17)10-6-8(13)4-5-11(10)16/h4-6,9,16H,2-3,7,14H2,1H3,(H,15,17).
What are the key properties of N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide?
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 113281709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).