2-[(3-chlorobenzoyl)amino]acetate

C9H7ClNO3- — CID 6920212

IUPAC2-[(3-chlorobenzoyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)/p-1
InChIKeyICYUIIJXZHPESK-UHFFFAOYSA-M
MW212.61 g/mol
LogP-0.18
Rot. Bonds3

About 2-[(3-chlorobenzoyl)amino]acetate

2-[(3-chlorobenzoyl)amino]acetate (PubChem CID 6920212) has the molecular formula C9H7ClNO3- and a molecular weight of 212.61 g/mol. Its IUPAC name is 2-[(3-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-[(3-chlorobenzoyl)amino]acetate
PubChem CID6920212
Molecular FormulaC9H7ClNO3-
Molecular Weight212.61 g/mol
Exact Mass212.01
IUPAC Name2-[(3-chlorobenzoyl)amino]acetate
SMILESO=C([O-])CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)/p-1
InChIKeyICYUIIJXZHPESK-UHFFFAOYSA-M
XLogP-0.18
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorobenzoyl)amino]acetate?
The IUPAC name of 2-[(3-chlorobenzoyl)amino]acetate (CID 6920212) is 2-[(3-chlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-[(3-chlorobenzoyl)amino]acetate?
The canonical SMILES for 2-[(3-chlorobenzoyl)amino]acetate is O=C([O-])CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorobenzoyl)amino]acetate?
The InChIKey is ICYUIIJXZHPESK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)/p-1.
What are the key properties of 2-[(3-chlorobenzoyl)amino]acetate?
2-[(3-chlorobenzoyl)amino]acetate has a molecular weight of 212.61 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 6920212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).