cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate

C11H9ClN2O3 — CID 4687610

IUPACcyanomethyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESN#CCOC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O3/c12-9-3-1-8(2-4-9)11(16)14-7-10(15)17-6-5-13/h1-4H,6-7H2,(H,14,16)
InChIKeyCRRPCGHOSUUNMK-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.14
Rot. Bonds4

About cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate

cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 4687610) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Namecyanomethyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID4687610
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Namecyanomethyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESN#CCOC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O3/c12-9-3-1-8(2-4-9)11(16)14-7-10(15)17-6-5-13/h1-4H,6-7H2,(H,14,16)
InChIKeyCRRPCGHOSUUNMK-UHFFFAOYSA-N
XLogP1.14
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyanomethyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364242
cyanomethyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854521
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7038818
cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979636
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878567
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878582
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878733

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate (CID 4687610) is cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate is N#CCOC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is CRRPCGHOSUUNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c12-9-3-1-8(2-4-9)11(16)14-7-10(15)17-6-5-13/h1-4H,6-7H2,(H,14,16).
What are the key properties of cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate?
cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 252.66 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 4687610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).