N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

C11H10Cl2F3NO — CID 163724477

IUPACN-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(Cl)c(Cl)c1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO/c1-17(10(18)11(14,15)16)5-4-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeyKUKIQNYTCQWCPM-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.56
Rot. Bonds3

About N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 163724477) has the molecular formula C11H10Cl2F3NO and a molecular weight of 300.11 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID163724477
Molecular FormulaC11H10Cl2F3NO
Molecular Weight300.11 g/mol
Exact Mass299.01
IUPAC NameN-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(Cl)c(Cl)c1)C(=O)C(F)(F)F
InChIInChI=1S/C11H10Cl2F3NO/c1-17(10(18)11(14,15)16)5-4-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3
InChIKeyKUKIQNYTCQWCPM-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea
CID 115169525
N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195073
2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-N-methylacetamide
CID 115162206
2-[4-chloro-3-(hydroxymethyl)phenyl]ethyl-methylcarbamic acid
CID 140558957
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269415
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194050
2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide
CID 102470809
N-[2-(4-chlorophenyl)ethyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 115165826
1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79062065

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 163724477) is N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is CN(CCc1ccc(Cl)c(Cl)c1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is KUKIQNYTCQWCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO/c1-17(10(18)11(14,15)16)5-4-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 300.11 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 163724477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).