5-acetamido-2-chlorobenzamide

C9H9ClN2O2 — CID 793682

IUPAC5-acetamido-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C9H9ClN2O2/c1-5(13)12-6-2-3-8(10)7(4-6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeySEWIUVSYJNFKKE-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.40
Rot. Bonds2

About 5-acetamido-2-chlorobenzamide

5-acetamido-2-chlorobenzamide (PubChem CID 793682) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 5-acetamido-2-chlorobenzamide.

Molecular Properties

Compound Name5-acetamido-2-chlorobenzamide
PubChem CID793682
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name5-acetamido-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C9H9ClN2O2/c1-5(13)12-6-2-3-8(10)7(4-6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13)
InChIKeySEWIUVSYJNFKKE-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chlorobenzamide?
The IUPAC name of 5-acetamido-2-chlorobenzamide (CID 793682) is 5-acetamido-2-chlorobenzamide.
What is the SMILES notation for 5-acetamido-2-chlorobenzamide?
The canonical SMILES for 5-acetamido-2-chlorobenzamide is CC(=O)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 5-acetamido-2-chlorobenzamide?
The InChIKey is SEWIUVSYJNFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-5(13)12-6-2-3-8(10)7(4-6)9(11)14/h2-4H,1H3,(H2,11,14)(H,12,13).
What are the key properties of 5-acetamido-2-chlorobenzamide?
5-acetamido-2-chlorobenzamide has a molecular weight of 212.64 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chlorobenzamide is sourced from PubChem (CID 793682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).