2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide

C16H16ClNO3 — CID 115956267

IUPAC2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
SMILESCC(Oc1c(Cl)cccc1CO)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-11(16(20)18-13-7-3-2-4-8-13)21-15-12(10-19)6-5-9-14(15)17/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyFHYRTBVAPCSHMY-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide

2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide (PubChem CID 115956267) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
PubChem CID115956267
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
SMILESCC(Oc1c(Cl)cccc1CO)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-11(16(20)18-13-7-3-2-4-8-13)21-15-12(10-19)6-5-9-14(15)17/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyFHYRTBVAPCSHMY-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-6-chlorophenoxy]-N-phenylpropanamide
CID 115951957
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 115956282
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-phenylpropanamide
CID 63325502
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2S)-N-(2-chlorophenyl)-2-(2,6-dimethylphenoxy)propanamide
CID 9297165
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(4-chloro-3-fluorophenoxy)-N-phenylpropanamide
CID 82705817

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide?
The IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide (CID 115956267) is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide?
The canonical SMILES for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide is CC(Oc1c(Cl)cccc1CO)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide?
The InChIKey is FHYRTBVAPCSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11(16(20)18-13-7-3-2-4-8-13)21-15-12(10-19)6-5-9-14(15)17/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide?
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide has a molecular weight of 305.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide is sourced from PubChem (CID 115956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).