(4-acetamidophenyl) 2-phenoxybenzoate

C21H17NO4 — CID 26188165

IUPAC(4-acetamidophenyl) 2-phenoxybenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H17NO4/c1-15(23)22-16-11-13-18(14-12-16)26-21(24)19-9-5-6-10-20(19)25-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23)
InChIKeySPFFDRMBEBRCBG-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.66
Rot. Bonds5

About (4-acetamidophenyl) 2-phenoxybenzoate

(4-acetamidophenyl) 2-phenoxybenzoate (PubChem CID 26188165) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-phenoxybenzoate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-phenoxybenzoate
PubChem CID26188165
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name(4-acetamidophenyl) 2-phenoxybenzoate
SMILESCC(=O)Nc1ccc(OC(=O)c2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C21H17NO4/c1-15(23)22-16-11-13-18(14-12-16)26-21(24)19-9-5-6-10-20(19)25-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23)
InChIKeySPFFDRMBEBRCBG-UHFFFAOYSA-N
XLogP4.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-phenoxybenzoate
CID 2471273
(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012077
(4-hydroxyphenyl) 2-(4-hydroxyphenoxy)benzoate
CID 57464622
[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498436
N-(4-acetylphenyl)-2-phenoxybenzamide
CID 2476949
N-(3-acetamidophenyl)-2-phenoxybenzamide
CID 3402859
phenoxybenzene;N-phenylacetamide
CID 174350344
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
2-phenoxy-N-phenylbenzamide
CID 3402306
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-phenoxybenzoate?
The IUPAC name of (4-acetamidophenyl) 2-phenoxybenzoate (CID 26188165) is (4-acetamidophenyl) 2-phenoxybenzoate.
What is the SMILES notation for (4-acetamidophenyl) 2-phenoxybenzoate?
The canonical SMILES for (4-acetamidophenyl) 2-phenoxybenzoate is CC(=O)Nc1ccc(OC(=O)c2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-phenoxybenzoate?
The InChIKey is SPFFDRMBEBRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-15(23)22-16-11-13-18(14-12-16)26-21(24)19-9-5-6-10-20(19)25-17-7-3-2-4-8-17/h2-14H,1H3,(H,22,23).
What are the key properties of (4-acetamidophenyl) 2-phenoxybenzoate?
(4-acetamidophenyl) 2-phenoxybenzoate has a molecular weight of 347.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-phenoxybenzoate is sourced from PubChem (CID 26188165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).