2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide

C15H21Cl2NO3 — CID 43516286

IUPAC2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C15H21Cl2NO3/c1-3-4-5-6-18-15(20)10(2)21-14-11(9-19)7-12(16)8-13(14)17/h7-8,10,19H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyBUHFMDCAXVAEDL-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.56
Rot. Bonds8

About 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide

2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide (PubChem CID 43516286) has the molecular formula C15H21Cl2NO3 and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
PubChem CID43516286
Molecular FormulaC15H21Cl2NO3
Molecular Weight334.24 g/mol
Exact Mass333.09
IUPAC Name2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CO
InChIInChI=1S/C15H21Cl2NO3/c1-3-4-5-6-18-15(20)10(2)21-14-11(9-19)7-12(16)8-13(14)17/h7-8,10,19H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyBUHFMDCAXVAEDL-UHFFFAOYSA-N
XLogP3.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-propylpropanamide
CID 43515713
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N,N-dimethylpropanamide
CID 43516191
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515771
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-ethylpropanamide
CID 43515707
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
(3,5-dichloro-2-propan-2-yloxyphenyl)methanol
CID 43516223
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
2-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-prop-2-enylpropanamide
CID 60890212
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 104666115
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide?
The IUPAC name of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide (CID 43516286) is 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide?
The canonical SMILES for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide is CCCCCNC(=O)C(C)Oc1c(Cl)cc(Cl)cc1CO.
What is the InChIKey of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide?
The InChIKey is BUHFMDCAXVAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO3/c1-3-4-5-6-18-15(20)10(2)21-14-11(9-19)7-12(16)8-13(14)17/h7-8,10,19H,3-6,9H2,1-2H3,(H,18,20).
What are the key properties of 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide?
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide has a molecular weight of 334.24 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-pentylpropanamide is sourced from PubChem (CID 43516286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).