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

C12H13ClN2O4 — CID 27682431

IUPACmethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O4/c1-19-11(17)7-14-10(16)6-15-12(18)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H,14,16)(H,15,18)
InChIKeyVXQDDYGBQQZIAI-UHFFFAOYSA-N
MW284.70 g/mol
LogP0.36
Rot. Bonds5

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

methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate (PubChem CID 27682431) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
PubChem CID27682431
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Namemethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O4/c1-19-11(17)7-14-10(16)6-15-12(18)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H,14,16)(H,15,18)
InChIKeyVXQDDYGBQQZIAI-UHFFFAOYSA-N
XLogP0.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46415948
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
2-chloro-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 64991561
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
2-chloro-N-[2-(3-hydroxypropylamino)-2-oxoethyl]benzamide
CID 43392696
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-chloro-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 26676807

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate (CID 27682431) is methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate?
The InChIKey is VXQDDYGBQQZIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c1-19-11(17)7-14-10(16)6-15-12(18)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3,(H,14,16)(H,15,18).
What are the key properties of methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate?
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate has a molecular weight of 284.70 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 27682431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).