2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid

C17H15ClN2O5 — CID 45434890

IUPAC2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O5/c18-13-3-1-2-4-14(13)25-10-15(21)20-12-7-5-11(6-8-12)17(24)19-9-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyRUTQPUSYJFKVGN-UHFFFAOYSA-N
MW362.77 g/mol
LogP2.17
Rot. Bonds7

About 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid

2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid (PubChem CID 45434890) has the molecular formula C17H15ClN2O5 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
PubChem CID45434890
Molecular FormulaC17H15ClN2O5
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1
InChIInChI=1S/C17H15ClN2O5/c18-13-3-1-2-4-14(13)25-10-15(21)20-12-7-5-11(6-8-12)17(24)19-9-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyRUTQPUSYJFKVGN-UHFFFAOYSA-N
XLogP2.17
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
2-[[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 9170949
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434797
4-[[2-(2-chlorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 2631997
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28638354
3-chloro-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221731
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
N-(2-benzamidoethyl)-4-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 121063227
4-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9286555

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid (CID 45434890) is 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1.
What is the InChIKey of 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
The InChIKey is RUTQPUSYJFKVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O5/c18-13-3-1-2-4-14(13)25-10-15(21)20-12-7-5-11(6-8-12)17(24)19-9-16(22)23/h1-8H,9-10H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid?
2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid has a molecular weight of 362.77 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 45434890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).