N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide

C15H14ClNO3 — CID 836090

IUPACN-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClNO3/c1-10-2-5-12(6-3-10)20-9-15(19)17-13-8-11(16)4-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyKMVYNPYRUGIJPM-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.37
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide

N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 836090) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID836090
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1
InChIInChI=1S/C15H14ClNO3/c1-10-2-5-12(6-3-10)20-9-15(19)17-13-8-11(16)4-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
InChIKeyKMVYNPYRUGIJPM-UHFFFAOYSA-N
XLogP3.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(5-chloro-2-hydroxyphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 55369187
N-(2-hydroxy-5-methylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 883490
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 838186
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
CID 40553112
N-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 893841
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]-2-phenoxyacetamide
CID 2954030
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide (CID 836090) is N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2O)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is KMVYNPYRUGIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10-2-5-12(6-3-10)20-9-15(19)17-13-8-11(16)4-7-14(13)18/h2-8,18H,9H2,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 291.73 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 836090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).