3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide

C10H9ClFNO2 — CID 126791243

IUPAC3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C10H9ClFNO2/c1-2-3-13-10(15)6-4-7(11)9(14)8(12)5-6/h2,4-5,14H,1,3H2,(H,13,15)
InChIKeyGUQVFWFFZUGSSI-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.10
Rot. Bonds3

About 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide

3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide (PubChem CID 126791243) has the molecular formula C10H9ClFNO2 and a molecular weight of 229.64 g/mol. Its IUPAC name is 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
PubChem CID126791243
Molecular FormulaC10H9ClFNO2
Molecular Weight229.64 g/mol
Exact Mass229.03
IUPAC Name3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(F)c(O)c(Cl)c1
InChIInChI=1S/C10H9ClFNO2/c1-2-3-13-10(15)6-4-7(11)9(14)8(12)5-6/h2,4-5,14H,1,3H2,(H,13,15)
InChIKeyGUQVFWFFZUGSSI-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-fluoro-N-prop-2-enylbenzamide
CID 103875478
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
3-chloro-5-fluoro-4-hydroxy-N-[(3-methylfuran-2-yl)methyl]benzamide
CID 166230669
3-chloro-5-fluoro-4-hydroxybenzoic acid
CID 67496538
5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101837
3-chloro-N-ethyl-4,5-dihydroxybenzamide
CID 144617791
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
(3-chloro-5-fluoro-4-hydroxyphenyl)-(4-chlorophenyl)methanone
CID 138392315

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide?
The IUPAC name of 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide (CID 126791243) is 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide?
The canonical SMILES for 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(F)c(O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide?
The InChIKey is GUQVFWFFZUGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO2/c1-2-3-13-10(15)6-4-7(11)9(14)8(12)5-6/h2,4-5,14H,1,3H2,(H,13,15).
What are the key properties of 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide?
3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide has a molecular weight of 229.64 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 126791243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).