4-chloro-N-ethenylbenzamide

C9H8ClNO — CID 69243016

IUPAC4-chloro-N-ethenylbenzamide
SMILESC=CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h2-6H,1H2,(H,11,12)
InChIKeyLYTQBKIZPOFQKL-UHFFFAOYSA-N
MW181.62 g/mol
LogP2.21
Rot. Bonds2

About 4-chloro-N-ethenylbenzamide

4-chloro-N-ethenylbenzamide (PubChem CID 69243016) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is 4-chloro-N-ethenylbenzamide.

Molecular Properties

Compound Name4-chloro-N-ethenylbenzamide
PubChem CID69243016
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name4-chloro-N-ethenylbenzamide
SMILESC=CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C9H8ClNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h2-6H,1H2,(H,11,12)
InChIKeyLYTQBKIZPOFQKL-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethenylbenzamide?
The IUPAC name of 4-chloro-N-ethenylbenzamide (CID 69243016) is 4-chloro-N-ethenylbenzamide.
What is the SMILES notation for 4-chloro-N-ethenylbenzamide?
The canonical SMILES for 4-chloro-N-ethenylbenzamide is C=CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethenylbenzamide?
The InChIKey is LYTQBKIZPOFQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO/c1-2-11-9(12)7-3-5-8(10)6-4-7/h2-6H,1H2,(H,11,12).
What are the key properties of 4-chloro-N-ethenylbenzamide?
4-chloro-N-ethenylbenzamide has a molecular weight of 181.62 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethenylbenzamide is sourced from PubChem (CID 69243016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).