4-chloro-2-ethenylbenzamide

C9H8ClNO — CID 15111018

IUPAC4-chloro-2-ethenylbenzamide
SMILESC=Cc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C9H8ClNO/c1-2-6-5-7(10)3-4-8(6)9(11)12/h2-5H,1H2,(H2,11,12)
InChIKeyCDALGLDUDJSSLC-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-2-ethenylbenzamide

4-chloro-2-ethenylbenzamide (PubChem CID 15111018) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-chloro-2-ethenylbenzamide.

Molecular Properties

Compound Name4-chloro-2-ethenylbenzamide
PubChem CID15111018
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name4-chloro-2-ethenylbenzamide
SMILESC=Cc1cc(Cl)ccc1C(N)=O
InChIInChI=1S/C9H8ClNO/c1-2-6-5-7(10)3-4-8(6)9(11)12/h2-5H,1H2,(H2,11,12)
InChIKeyCDALGLDUDJSSLC-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethenylbenzamide?
The IUPAC name of 4-chloro-2-ethenylbenzamide (CID 15111018) is 4-chloro-2-ethenylbenzamide.
What is the SMILES notation for 4-chloro-2-ethenylbenzamide?
The canonical SMILES for 4-chloro-2-ethenylbenzamide is C=Cc1cc(Cl)ccc1C(N)=O.
What is the InChIKey of 4-chloro-2-ethenylbenzamide?
The InChIKey is CDALGLDUDJSSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-2-6-5-7(10)3-4-8(6)9(11)12/h2-5H,1H2,(H2,11,12).
What are the key properties of 4-chloro-2-ethenylbenzamide?
4-chloro-2-ethenylbenzamide has a molecular weight of 181.62 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethenylbenzamide is sourced from PubChem (CID 15111018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).