4-(1-hydroxyethyl)benzamide

C9H11NO2 — CID 22716490

IUPAC4-(1-hydroxyethyl)benzamide
SMILESCC(O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C9H11NO2/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-6,11H,1H3,(H2,10,12)
InChIKeyNIJXHOAJAOIJJZ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.84
Rot. Bonds2

About 4-(1-hydroxyethyl)benzamide

4-(1-hydroxyethyl)benzamide (PubChem CID 22716490) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)benzamide
PubChem CID22716490
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(1-hydroxyethyl)benzamide
SMILESCC(O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C9H11NO2/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-6,11H,1H3,(H2,10,12)
InChIKeyNIJXHOAJAOIJJZ-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,2S)-1-amino-2-hydroxypropyl]benzamide
CID 130706174
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzamide
CID 131145263
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-[bromo(hydroxy)methyl]benzamide
CID 142783477
4-(1-hydroxypropyl)benzamide
CID 118219631
4-(3-methylpentan-2-yl)benzamide
CID 126657369
N'-hydroxy-4-(1-hydroxyethyl)benzenecarboximidamide
CID 123169234
4-[(1R)-1-acetamidoethyl]benzamide
CID 175730971
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
4-[2-chloro-4-(1-hydroxyethyl)phenoxy]benzamide
CID 62911692
4-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 102174990

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)benzamide?
The IUPAC name of 4-(1-hydroxyethyl)benzamide (CID 22716490) is 4-(1-hydroxyethyl)benzamide.
What is the SMILES notation for 4-(1-hydroxyethyl)benzamide?
The canonical SMILES for 4-(1-hydroxyethyl)benzamide is CC(O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)benzamide?
The InChIKey is NIJXHOAJAOIJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(11)7-2-4-8(5-3-7)9(10)12/h2-6,11H,1H3,(H2,10,12).
What are the key properties of 4-(1-hydroxyethyl)benzamide?
4-(1-hydroxyethyl)benzamide has a molecular weight of 165.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)benzamide is sourced from PubChem (CID 22716490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).