N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

C18H17ClF3NO — CID 55579324

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO/c1-12(14-6-4-8-16(19)11-14)23(2)17(24)10-13-5-3-7-15(9-13)18(20,21)22/h3-9,11-12H,10H2,1-2H3
InChIKeyQQVDBEWGSWAKJI-UHFFFAOYSA-N
MW355.79 g/mol
LogP5.12
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 55579324) has the molecular formula C18H17ClF3NO and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID55579324
Molecular FormulaC18H17ClF3NO
Molecular Weight355.79 g/mol
Exact Mass355.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17ClF3NO/c1-12(14-6-4-8-16(19)11-14)23(2)17(24)10-13-5-3-7-15(9-13)18(20,21)22/h3-9,11-12H,10H2,1-2H3
InChIKeyQQVDBEWGSWAKJI-UHFFFAOYSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.79
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylacetamide
CID 75871905
2-(4-acetamidophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylacetamide
CID 134053894
N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 54176693
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 107202415
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
3-(2-aminophenyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylpropanamide
CID 120608860
1-chloro-3-[1-[3-(trifluoromethyl)phenoxy]ethyl]benzene
CID 174048079
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (CID 55579324) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is CC(c1cccc(Cl)c1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QQVDBEWGSWAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO/c1-12(14-6-4-8-16(19)11-14)23(2)17(24)10-13-5-3-7-15(9-13)18(20,21)22/h3-9,11-12H,10H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 355.79 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55579324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).