N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H12Cl2F3NO3 — CID 111452358

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2F3NO3/c13-7-2-1-3-8(14)11(7)9(19)4-18-10(20)5-21-6-12(15,16)17/h1-3,9,19H,4-6H2,(H,18,20)
InChIKeyOSMBNLOWFFYODR-UHFFFAOYSA-N
MW346.13 g/mol
LogP2.72
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 111452358) has the molecular formula C12H12Cl2F3NO3 and a molecular weight of 346.13 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID111452358
Molecular FormulaC12H12Cl2F3NO3
Molecular Weight346.13 g/mol
Exact Mass345.01
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2F3NO3/c13-7-2-1-3-8(14)11(7)9(19)4-18-10(20)5-21-6-12(15,16)17/h1-3,9,19H,4-6H2,(H,18,20)
InChIKeyOSMBNLOWFFYODR-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]ethyl]-2-methylpropanamide;hydrochloride
CID 54584691
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-propan-2-yloxypropanamide
CID 71930032
2-ethoxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 71849228
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-methoxypropanamide
CID 72002711
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]oxolane-3-carboxamide
CID 72002723
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95775527
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-propoxyacetamide
CID 96415586
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methoxyacetamide
CID 96415610
N-[2-[[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 96415616
2-ethoxy-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 97100924
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-methoxybutanamide
CID 97569366
N-[2-(4-Chloro-3-hydroxymethyl-phenyl)-ethyl]-3,3,3-trifluoro-propionamide
CID 68503951

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 111452358) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC(O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is OSMBNLOWFFYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F3NO3/c13-7-2-1-3-8(14)11(7)9(19)4-18-10(20)5-21-6-12(15,16)17/h1-3,9,19H,4-6H2,(H,18,20).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 346.13 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 111452358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).