2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C11H10Cl2F3NO3 — CID 103726307

IUPAC2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC(O)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO3/c12-6-1-2-8(7(13)3-6)20-5-10(19)17-4-9(18)11(14,15)16/h1-3,9,18H,4-5H2,(H,17,19)
InChIKeyIAQFCVRVSNZSLJ-UHFFFAOYSA-N
MW332.11 g/mol
LogP2.41
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726307) has the molecular formula C11H10Cl2F3NO3 and a molecular weight of 332.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726307
Molecular FormulaC11H10Cl2F3NO3
Molecular Weight332.11 g/mol
Exact Mass331.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCC(O)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO3/c12-6-1-2-8(7(13)3-6)20-5-10(19)17-4-9(18)11(14,15)16/h1-3,9,18H,4-5H2,(H,17,19)
InChIKeyIAQFCVRVSNZSLJ-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
3-(3-chloro-4-methoxyphenyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723354
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
(2S)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833666
2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877357
2-(2-chloro-4-fluorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744446
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
2-(2,4-dichlorophenoxy)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 8798727

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726307) is 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is IAQFCVRVSNZSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO3/c12-6-1-2-8(7(13)3-6)20-5-10(19)17-4-9(18)11(14,15)16/h1-3,9,18H,4-5H2,(H,17,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 332.11 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).