N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide

C12H14F3NO2 — CID 115190181

IUPACN-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCCc1cc(N(C)C(=O)C(F)(F)F)ccc1OC
InChIInChI=1S/C12H14F3NO2/c1-4-8-7-9(5-6-10(8)18-3)16(2)11(17)12(13,14)15/h5-7H,4H2,1-3H3
InChIKeyNAYLZAWWOYDGEQ-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.78
Rot. Bonds3

About N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide

N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 115190181) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID115190181
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC NameN-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCCc1cc(N(C)C(=O)C(F)(F)F)ccc1OC
InChIInChI=1S/C12H14F3NO2/c1-4-8-7-9(5-6-10(8)18-3)16(2)11(17)12(13,14)15/h5-7H,4H2,1-3H3
InChIKeyNAYLZAWWOYDGEQ-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethyl-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178652
2-(aminomethyl)-N-(3-ethyl-4-methoxyphenyl)-N-methylbutanamide
CID 115186906
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
2,2,2-trifluoro-N-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 115190160
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-2,2,2-trifluoro-N-methylacetamide
CID 91676822
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211
4-(3-ethyl-4-methoxy-N-methylanilino)-3-oxobutanenitrile
CID 117038334
N-(3-chloro-4-fluorophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190199
N-[2-methoxy-4-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 91677844

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide (CID 115190181) is N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide is CCc1cc(N(C)C(=O)C(F)(F)F)ccc1OC.
What is the InChIKey of N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is NAYLZAWWOYDGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-4-8-7-9(5-6-10(8)18-3)16(2)11(17)12(13,14)15/h5-7H,4H2,1-3H3.
What are the key properties of N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide?
N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 261.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxyphenyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 115190181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).