methyl 2-acetamido-5-chlorobenzoate

C10H10ClNO3 — CID 4640571

IUPACmethyl 2-acetamido-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C10H10ClNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyTVAAIYFBEWHVCV-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.09
Rot. Bonds2

About methyl 2-acetamido-5-chlorobenzoate

methyl 2-acetamido-5-chlorobenzoate (PubChem CID 4640571) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is methyl 2-acetamido-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-chlorobenzoate
PubChem CID4640571
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Namemethyl 2-acetamido-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(C)=O
InChIInChI=1S/C10H10ClNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChIKeyTVAAIYFBEWHVCV-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-chlorobenzoate?
The IUPAC name of methyl 2-acetamido-5-chlorobenzoate (CID 4640571) is methyl 2-acetamido-5-chlorobenzoate.
What is the SMILES notation for methyl 2-acetamido-5-chlorobenzoate?
The canonical SMILES for methyl 2-acetamido-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-5-chlorobenzoate?
The InChIKey is TVAAIYFBEWHVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl 2-acetamido-5-chlorobenzoate?
methyl 2-acetamido-5-chlorobenzoate has a molecular weight of 227.65 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-chlorobenzoate is sourced from PubChem (CID 4640571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).