methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate

C22H18ClNO4 — CID 1004752

IUPACmethyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(COc2ccccc2Cl)c1
InChIInChI=1S/C22H18ClNO4/c1-27-22(26)17-9-2-4-11-19(17)24-21(25)16-8-6-7-15(13-16)14-28-20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFKWLZMUXZBBGAF-UHFFFAOYSA-N
MW395.84 g/mol
LogP4.96
Rot. Bonds6

About methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate

methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate (PubChem CID 1004752) has the molecular formula C22H18ClNO4 and a molecular weight of 395.84 g/mol. Its IUPAC name is methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate
PubChem CID1004752
Molecular FormulaC22H18ClNO4
Molecular Weight395.84 g/mol
Exact Mass395.09
IUPAC Namemethyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(COc2ccccc2Cl)c1
InChIInChI=1S/C22H18ClNO4/c1-27-22(26)17-9-2-4-11-19(17)24-21(25)16-8-6-7-15(13-16)14-28-20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,24,25)
InChIKeyFKWLZMUXZBBGAF-UHFFFAOYSA-N
XLogP4.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate (CID 1004752) is methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(COc2ccccc2Cl)c1.
What is the InChIKey of methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate?
The InChIKey is FKWLZMUXZBBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4/c1-27-22(26)17-9-2-4-11-19(17)24-21(25)16-8-6-7-15(13-16)14-28-20-12-5-3-10-18(20)23/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate?
methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate has a molecular weight of 395.84 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-chlorophenoxy)methyl]benzoyl]amino]benzoate is sourced from PubChem (CID 1004752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).