N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

C11H11ClF3NO — CID 62729337

IUPACN-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(8-5-3-4-6-9(8)12)16(2)10(17)11(13,14)15/h3-7H,1-2H3
InChIKeyPOSXSVGJAIOSBQ-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.42
Rot. Bonds2

About N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62729337) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62729337
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(c1ccccc1Cl)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C11H11ClF3NO/c1-7(8-5-3-4-6-9(8)12)16(2)10(17)11(13,14)15/h3-7H,1-2H3
InChIKeyPOSXSVGJAIOSBQ-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79805138
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N,2,2-trimethylpropanamide
CID 63681334
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-sulfanylpropanamide
CID 107029047
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957895
N-[1-(2-chlorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 55097238
2-[[1-(2-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62984778
6-amino-3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980332
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
(2R)-2-amino-N-[1-(2-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 104903057
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 62729337) is N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is CC(c1ccccc1Cl)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is POSXSVGJAIOSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-7(8-5-3-4-6-9(8)12)16(2)10(17)11(13,14)15/h3-7H,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 265.66 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62729337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).