methyl 2-[(2-chlorobenzoyl)amino]acetate

C10H10ClNO3 — CID 531380

IUPACmethyl 2-[(2-chlorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyNVWHFQJYAXGYIN-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.24
Rot. Bonds3

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

methyl 2-[(2-chlorobenzoyl)amino]acetate (PubChem CID 531380) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 2-[(2-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorobenzoyl)amino]acetate
PubChem CID531380
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl 2-[(2-chlorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)
InChIKeyNVWHFQJYAXGYIN-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-chlorobenzoyl)amino]acetate (CID 531380) is methyl 2-[(2-chlorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-chlorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-chlorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of methyl 2-[(2-chlorobenzoyl)amino]acetate?
The InChIKey is NVWHFQJYAXGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of methyl 2-[(2-chlorobenzoyl)amino]acetate?
methyl 2-[(2-chlorobenzoyl)amino]acetate has a molecular weight of 227.65 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 531380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).