2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide

C14H18F3NO2 — CID 134026710

IUPAC2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-4-10(2)13(19)18-11-5-7-12(8-6-11)20-9-14(15,16)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyMZKKATBIEPQSCH-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.00
Rot. Bonds6

About 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide

2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide (PubChem CID 134026710) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
PubChem CID134026710
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-4-10(2)13(19)18-11-5-7-12(8-6-11)20-9-14(15,16)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyMZKKATBIEPQSCH-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]hexanamide
CID 103831151
N-[4-(cyanomethoxy)phenyl]-2-methylpentanamide
CID 43242605
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-methylpentanamide
CID 134005594
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
2-methyl-N-phenylpentanamide
CID 4627801
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The IUPAC name of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide (CID 134026710) is 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The canonical SMILES for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide is CCCC(C)C(=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
The InChIKey is MZKKATBIEPQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-4-10(2)13(19)18-11-5-7-12(8-6-11)20-9-14(15,16)17/h5-8,10H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide?
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide has a molecular weight of 289.30 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide is sourced from PubChem (CID 134026710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).