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

C10H9ClFNO — CID 103875478

IUPAC4-chloro-3-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFNO/c1-2-5-13-10(14)7-3-4-8(11)9(12)6-7/h2-4,6H,1,5H2,(H,13,14)
InChIKeyLXLHIZPQIZYASB-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.39
Rot. Bonds3

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

4-chloro-3-fluoro-N-prop-2-enylbenzamide (PubChem CID 103875478) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-prop-2-enylbenzamide
PubChem CID103875478
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name4-chloro-3-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H9ClFNO/c1-2-5-13-10(14)7-3-4-8(11)9(12)6-7/h2-4,6H,1,5H2,(H,13,14)
InChIKeyLXLHIZPQIZYASB-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-fluoro-4-hydroxy-N-prop-2-enylbenzamide
CID 126791243
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
4-N-[(4-chlorophenyl)methyl]-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043482
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-3-fluorobenzamide
CID 107994092
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-prop-2-enylbenzamide?
The IUPAC name of 4-chloro-3-fluoro-N-prop-2-enylbenzamide (CID 103875478) is 4-chloro-3-fluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-prop-2-enylbenzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-prop-2-enylbenzamide?
The InChIKey is LXLHIZPQIZYASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-2-5-13-10(14)7-3-4-8(11)9(12)6-7/h2-4,6H,1,5H2,(H,13,14).
What are the key properties of 4-chloro-3-fluoro-N-prop-2-enylbenzamide?
4-chloro-3-fluoro-N-prop-2-enylbenzamide has a molecular weight of 213.64 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-prop-2-enylbenzamide is sourced from PubChem (CID 103875478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).