tert-butyl 2-[(2-chlorobenzoyl)amino]acetate

C13H16ClNO3 — CID 78966461

IUPACtert-butyl 2-[(2-chlorobenzoyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-13(2,3)18-11(16)8-15-12(17)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyWFPQOCXOBSWAOP-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl 2-[(2-chlorobenzoyl)amino]acetate

tert-butyl 2-[(2-chlorobenzoyl)amino]acetate (PubChem CID 78966461) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is tert-butyl 2-[(2-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-chlorobenzoyl)amino]acetate
PubChem CID78966461
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Nametert-butyl 2-[(2-chlorobenzoyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-13(2,3)18-11(16)8-15-12(17)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,17)
InChIKeyWFPQOCXOBSWAOP-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
tert-butyl N-[2-[4-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916913
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194
tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
CID 81378736
tert-butyl 2-(3-chloro-2-methylanilino)acetate
CID 60679121
tert-butyl 2-[(2-fluoro-4-phenylbenzoyl)amino]acetate
CID 169197777
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217
tert-butyl 2-[(5-chloro-2-nitrobenzoyl)amino]acetate
CID 142847428

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-chlorobenzoyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-chlorobenzoyl)amino]acetate (CID 78966461) is tert-butyl 2-[(2-chlorobenzoyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-chlorobenzoyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-chlorobenzoyl)amino]acetate is CC(C)(C)OC(=O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of tert-butyl 2-[(2-chlorobenzoyl)amino]acetate?
The InChIKey is WFPQOCXOBSWAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-13(2,3)18-11(16)8-15-12(17)9-6-4-5-7-10(9)14/h4-7H,8H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 2-[(2-chlorobenzoyl)amino]acetate?
tert-butyl 2-[(2-chlorobenzoyl)amino]acetate has a molecular weight of 269.73 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 78966461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).