N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide

C13H15ClF3NO2 — CID 90623820

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
SMILESCOC(CNC(=O)CCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C13H15ClF3NO2/c1-20-11(9-4-2-3-5-10(9)14)8-18-12(19)6-7-13(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,19)
InChIKeyWESFRQQLJKASOA-UHFFFAOYSA-N
MW309.71 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide (PubChem CID 90623820) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.71 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
PubChem CID90623820
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.71 g/mol
Exact Mass309.07
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
SMILESCOC(CNC(=O)CCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C13H15ClF3NO2/c1-20-11(9-4-2-3-5-10(9)14)8-18-12(19)6-7-13(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,19)
InChIKeyWESFRQQLJKASOA-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 99876162
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 90623823
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-4-(trifluoromethoxy)benzamide
CID 99876145
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
CID 99876096
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
1-[2-(2-chlorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90624044
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide (CID 90623820) is N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide is COC(CNC(=O)CCC(F)(F)F)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide?
The InChIKey is WESFRQQLJKASOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c1-20-11(9-4-2-3-5-10(9)14)8-18-12(19)6-7-13(15,16)17/h2-5,11H,6-8H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide has a molecular weight of 309.71 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 90623820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).