phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate

C21H16ClNO5 — CID 19165351

IUPACphenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
InChIInChI=1S/C21H16ClNO5/c22-17-8-4-5-9-19(17)27-13-20(25)23-14-10-11-16(18(24)12-14)21(26)28-15-6-2-1-3-7-15/h1-12,24H,13H2,(H,23,25)
InChIKeyARBQXECIBZDQGF-UHFFFAOYSA-N
MW397.81 g/mol
LogP4.28
Rot. Bonds6

About phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate

phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate (PubChem CID 19165351) has the molecular formula C21H16ClNO5 and a molecular weight of 397.81 g/mol. Its IUPAC name is phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namephenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate
PubChem CID19165351
Molecular FormulaC21H16ClNO5
Molecular Weight397.81 g/mol
Exact Mass397.07
IUPAC Namephenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate
SMILESO=C(COc1ccccc1Cl)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
InChIInChI=1S/C21H16ClNO5/c22-17-8-4-5-9-19(17)27-13-20(25)23-14-10-11-16(18(24)12-14)21(26)28-15-6-2-1-3-7-15/h1-12,24H,13H2,(H,23,25)
InChIKeyARBQXECIBZDQGF-UHFFFAOYSA-N
XLogP4.28
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-hydroxy-4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 1185799
phenyl 4-[[2-(3-bromophenoxy)acetyl]amino]-2-hydroxybenzoate
CID 19171429
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
2-(2-chlorophenoxy)-N-(4-phenylphenyl)acetamide
CID 7926033
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-(2-chlorophenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169815
2-(2-chlorophenoxy)-N-pyridin-4-ylacetamide
CID 21229438
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]propanamide
CID 17027266
2-(2-chlorophenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 19171328
2-(2-chlorophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787980
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate?
The IUPAC name of phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate (CID 19165351) is phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate.
What is the SMILES notation for phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate?
The canonical SMILES for phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate is O=C(COc1ccccc1Cl)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1.
What is the InChIKey of phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate?
The InChIKey is ARBQXECIBZDQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO5/c22-17-8-4-5-9-19(17)27-13-20(25)23-14-10-11-16(18(24)12-14)21(26)28-15-6-2-1-3-7-15/h1-12,24H,13H2,(H,23,25).
What are the key properties of phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate?
phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate has a molecular weight of 397.81 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[[2-(2-chlorophenoxy)acetyl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 19165351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).