(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate

C16H14ClNO4 — CID 2391541

IUPAC(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
SMILESNC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO4/c17-12-7-5-11(6-8-12)9-21-14-4-2-1-3-13(14)16(20)22-10-15(18)19/h1-8H,9-10H2,(H2,18,19)
InChIKeyYMPXNFNCTRYYFP-UHFFFAOYSA-N
MW319.74 g/mol
LogP2.56
Rot. Bonds6

About (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate

(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 2391541) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
PubChem CID2391541
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
SMILESNC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClNO4/c17-12-7-5-11(6-8-12)9-21-14-4-2-1-3-13(14)16(20)22-10-15(18)19/h1-8H,9-10H2,(H2,18,19)
InChIKeyYMPXNFNCTRYYFP-UHFFFAOYSA-N
XLogP2.56
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate (CID 2391541) is (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate is NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is YMPXNFNCTRYYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c17-12-7-5-11(6-8-12)9-21-14-4-2-1-3-13(14)16(20)22-10-15(18)19/h1-8H,9-10H2,(H2,18,19).
What are the key properties of (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate?
(2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 319.74 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 2391541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).