methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate

C11H12ClNO3 — CID 27682247

IUPACmethyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-16-11(15)7-13-10(14)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyRQLWZECWCLNJOD-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate (PubChem CID 27682247) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
PubChem CID27682247
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-16-11(15)7-13-10(14)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyRQLWZECWCLNJOD-UHFFFAOYSA-N
XLogP1.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
methyl 2-[[2-(4-methoxyphenyl)acetyl]amino]acetate
CID 3423294
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781667
ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]-2-oxopropanoate
CID 165091165
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
methyl 2-[[2-[4-[(5-chloro-1H-indole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 60556151
methyl 2-[(4-chlorobenzenecarbothioyl)amino]acetate
CID 87635193
methyl 2-[2-(4-chlorophenyl)ethylamino]acetate
CID 54033204
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate (CID 27682247) is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate?
The InChIKey is RQLWZECWCLNJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-16-11(15)7-13-10(14)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate?
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate has a molecular weight of 241.67 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate is sourced from PubChem (CID 27682247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).