N-(2-amino-2-oxoethyl)-3-chlorobenzamide

C9H9ClN2O2 — CID 676589

IUPACN-(2-amino-2-oxoethyl)-3-chlorobenzamide
SMILESNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyLRLKXLXJBDTNRH-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.56
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-3-chlorobenzamide

N-(2-amino-2-oxoethyl)-3-chlorobenzamide (PubChem CID 676589) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-chlorobenzamide
PubChem CID676589
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN-(2-amino-2-oxoethyl)-3-chlorobenzamide
SMILESNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClN2O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyLRLKXLXJBDTNRH-UHFFFAOYSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-chlorobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-chlorobenzamide (CID 676589) is N-(2-amino-2-oxoethyl)-3-chlorobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-chlorobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-chlorobenzamide is NC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-chlorobenzamide?
The InChIKey is LRLKXLXJBDTNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-3-1-2-6(4-7)9(14)12-5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14).
What are the key properties of N-(2-amino-2-oxoethyl)-3-chlorobenzamide?
N-(2-amino-2-oxoethyl)-3-chlorobenzamide has a molecular weight of 212.64 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-chlorobenzamide is sourced from PubChem (CID 676589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).