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

C22H16ClN2O5- — CID 2193068

IUPAC2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
SMILESO=C(COc1ccccc1Cl)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C22H17ClN2O5/c23-17-9-2-4-11-19(17)30-13-20(26)24-15-7-5-6-14(12-15)21(27)25-18-10-3-1-8-16(18)22(28)29/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)/p-1
InChIKeyITENLUUWZMVQHF-UHFFFAOYSA-M
MW423.83 g/mol
LogP2.97
Rot. Bonds7

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

2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate (PubChem CID 2193068) has the molecular formula C22H16ClN2O5- and a molecular weight of 423.83 g/mol. Its IUPAC name is 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Name2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
PubChem CID2193068
Molecular FormulaC22H16ClN2O5-
Molecular Weight423.83 g/mol
Exact Mass423.08
IUPAC Name2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
SMILESO=C(COc1ccccc1Cl)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
InChIInChI=1S/C22H17ClN2O5/c23-17-9-2-4-11-19(17)30-13-20(26)24-15-7-5-6-14(12-15)21(27)25-18-10-3-1-8-16(18)22(28)29/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)/p-1
InChIKeyITENLUUWZMVQHF-UHFFFAOYSA-M
XLogP2.97
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate
CID 2972854
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731
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-phenylacetamide
CID 853450
N-(2-chlorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4199115
N-(2-ethoxyphenyl)-3-[(2-naphthalen-1-yloxyacetyl)amino]benzamide
CID 11841398
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
3-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199940
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
CID 164603585
N-(2-acetylphenyl)-2-(2-chlorophenoxy)acetamide
CID 2707164

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
The IUPAC name of 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate (CID 2193068) is 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate.
What is the SMILES notation for 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
The canonical SMILES for 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate is O=C(COc1ccccc1Cl)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1.
What is the InChIKey of 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
The InChIKey is ITENLUUWZMVQHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17ClN2O5/c23-17-9-2-4-11-19(17)30-13-20(26)24-15-7-5-6-14(12-15)21(27)25-18-10-3-1-8-16(18)22(28)29/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)/p-1.
What are the key properties of 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate?
2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate has a molecular weight of 423.83 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]benzoate is sourced from PubChem (CID 2193068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).