N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide

C10H9FN2O2 — CID 126774589

IUPACN-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
SMILESC[C@@H](C#N)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C10H9FN2O2/c1-6(5-12)13-10(15)8-3-2-7(14)4-9(8)11/h2-4,6,14H,1H3,(H,13,15)/t6-/m0/s1
InChIKeyBUNWEOOLTYRURE-LURJTMIESA-N
MW208.19 g/mol
LogP1.17
Rot. Bonds2

About N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide

N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 126774589) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
PubChem CID126774589
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC NameN-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
SMILESC[C@@H](C#N)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C10H9FN2O2/c1-6(5-12)13-10(15)8-3-2-7(14)4-9(8)11/h2-4,6,14H,1H3,(H,13,15)/t6-/m0/s1
InChIKeyBUNWEOOLTYRURE-LURJTMIESA-N
XLogP1.17
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107675134
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
2-chloro-N-[(1S)-1-cyanoethyl]-5-fluorobenzamide
CID 126769274
N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
CID 114390061
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
2,5-dichloro-N-(1-cyanoethyl)benzamide
CID 61121833
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107676814
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide (CID 126774589) is N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide is C[C@@H](C#N)NC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is BUNWEOOLTYRURE-LURJTMIESA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6(5-12)13-10(15)8-3-2-7(14)4-9(8)11/h2-4,6,14H,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide?
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 208.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 126774589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).