(2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate

C18H17ClN2O4 — CID 2953495

IUPAC(2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-15-9-5-4-8-14(15)12-25-17(23)11-20-16(22)10-21-18(24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,22)(H,21,24)
InChIKeyDRNWVQXKIKZDLD-UHFFFAOYSA-N
MW360.80 g/mol
LogP1.93
Rot. Bonds7

About (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate

(2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate (PubChem CID 2953495) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
PubChem CID2953495
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name(2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-15-9-5-4-8-14(15)12-25-17(23)11-20-16(22)10-21-18(24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,22)(H,21,24)
InChIKeyDRNWVQXKIKZDLD-UHFFFAOYSA-N
XLogP1.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate (CID 2953495) is (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate is O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
The InChIKey is DRNWVQXKIKZDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-15-9-5-4-8-14(15)12-25-17(23)11-20-16(22)10-21-18(24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,20,22)(H,21,24).
What are the key properties of (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate?
(2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate has a molecular weight of 360.80 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate is sourced from PubChem (CID 2953495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).