2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide

C13H17ClN2O4 — CID 115956282

IUPAC2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1c(Cl)cccc1CO
InChIInChI=1S/C13H17ClN2O4/c1-3-15-13(19)16-12(18)8(2)20-11-9(7-17)5-4-6-10(11)14/h4-6,8,17H,3,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyLQPRFFFZZFBMEB-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.45
Rot. Bonds5

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

2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide (PubChem CID 115956282) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
PubChem CID115956282
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1c(Cl)cccc1CO
InChIInChI=1S/C13H17ClN2O4/c1-3-15-13(19)16-12(18)8(2)20-11-9(7-17)5-4-6-10(11)14/h4-6,8,17H,3,7H2,1-2H3,(H2,15,16,18,19)
InChIKeyLQPRFFFZZFBMEB-UHFFFAOYSA-N
XLogP1.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-phenylpropanamide
CID 115956267
2-[2-(aminomethyl)-3-chlorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 114318401
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[2-chloro-6-(hydroxymethyl)phenoxy]butanamide
CID 112612856
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-propylpropanamide
CID 112612370

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide (CID 115956282) is 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1c(Cl)cccc1CO.
What is the InChIKey of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
The InChIKey is LQPRFFFZZFBMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-3-15-13(19)16-12(18)8(2)20-11-9(7-17)5-4-6-10(11)14/h4-6,8,17H,3,7H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide?
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide has a molecular weight of 300.74 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 115956282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).