3-formamido-2-hydroxy-4-prop-2-enylbenzamide

C11H12N2O3 — CID 174949644

IUPAC3-formamido-2-hydroxy-4-prop-2-enylbenzamide
SMILESC=CCc1ccc(C(N)=O)c(O)c1NC=O
InChIInChI=1S/C11H12N2O3/c1-2-3-7-4-5-8(11(12)16)10(15)9(7)13-6-14/h2,4-6,15H,1,3H2,(H2,12,16)(H,13,14)
InChIKeyWZYADFBKTCAODG-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.79
Rot. Bonds5

About 3-formamido-2-hydroxy-4-prop-2-enylbenzamide

3-formamido-2-hydroxy-4-prop-2-enylbenzamide (PubChem CID 174949644) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-formamido-2-hydroxy-4-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-formamido-2-hydroxy-4-prop-2-enylbenzamide
PubChem CID174949644
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-formamido-2-hydroxy-4-prop-2-enylbenzamide
SMILESC=CCc1ccc(C(N)=O)c(O)c1NC=O
InChIInChI=1S/C11H12N2O3/c1-2-3-7-4-5-8(11(12)16)10(15)9(7)13-6-14/h2,4-6,15H,1,3H2,(H2,12,16)(H,13,14)
InChIKeyWZYADFBKTCAODG-UHFFFAOYSA-N
XLogP0.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-formamido-2-hydroxy-4-prop-2-enylbenzamide?
The IUPAC name of 3-formamido-2-hydroxy-4-prop-2-enylbenzamide (CID 174949644) is 3-formamido-2-hydroxy-4-prop-2-enylbenzamide.
What is the SMILES notation for 3-formamido-2-hydroxy-4-prop-2-enylbenzamide?
The canonical SMILES for 3-formamido-2-hydroxy-4-prop-2-enylbenzamide is C=CCc1ccc(C(N)=O)c(O)c1NC=O.
What is the InChIKey of 3-formamido-2-hydroxy-4-prop-2-enylbenzamide?
The InChIKey is WZYADFBKTCAODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-3-7-4-5-8(11(12)16)10(15)9(7)13-6-14/h2,4-6,15H,1,3H2,(H2,12,16)(H,13,14).
What are the key properties of 3-formamido-2-hydroxy-4-prop-2-enylbenzamide?
3-formamido-2-hydroxy-4-prop-2-enylbenzamide has a molecular weight of 220.23 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-2-hydroxy-4-prop-2-enylbenzamide is sourced from PubChem (CID 174949644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).