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

C23H19ClN2O5 — CID 2972854

IUPACmethyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C23H19ClN2O5/c1-30-23(29)17-9-2-4-11-19(17)26-22(28)15-7-6-8-16(13-15)25-21(27)14-31-20-12-5-3-10-18(20)24/h2-13H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyVDCQOTKECXJWJN-UHFFFAOYSA-N
MW438.87 g/mol
LogP4.40
Rot. Bonds7

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

methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate (PubChem CID 2972854) has the molecular formula C23H19ClN2O5 and a molecular weight of 438.87 g/mol. Its IUPAC name is methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
PubChem CID2972854
Molecular FormulaC23H19ClN2O5
Molecular Weight438.87 g/mol
Exact Mass438.10
IUPAC Namemethyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C23H19ClN2O5/c1-30-23(29)17-9-2-4-11-19(17)26-22(28)15-7-6-8-16(13-15)25-21(27)14-31-20-12-5-3-10-18(20)24/h2-13H,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyVDCQOTKECXJWJN-UHFFFAOYSA-N
XLogP4.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.87
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
CID 2193068
methyl 2-[[3-(3-phenylpropanoylamino)benzoyl]amino]benzoate
CID 17172094
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39187776
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(2-chlorophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 9293522
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
N-(3-bromo-4-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 3544904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate (CID 2972854) is methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccccc2Cl)c1.
What is the InChIKey of methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
The InChIKey is VDCQOTKECXJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O5/c1-30-23(29)17-9-2-4-11-19(17)26-22(28)15-7-6-8-16(13-15)25-21(27)14-31-20-12-5-3-10-18(20)24/h2-13H,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate has a molecular weight of 438.87 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate is sourced from PubChem (CID 2972854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).