N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide

C12H14F3NO3 — CID 134005070

IUPACN-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-18-10-4-2-9(3-5-10)16-11(17)6-7-19-8-12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyUALRMHFBRLDYOP-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.60
Rot. Bonds6

About N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 134005070) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID134005070
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO3/c1-18-10-4-2-9(3-5-10)16-11(17)6-7-19-8-12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17)
InChIKeyUALRMHFBRLDYOP-UHFFFAOYSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(bromomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212488
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 52850188
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55881355
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
tert-butyl N-[2-methoxy-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]carbamate
CID 55674089
N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43540442
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
2-(2-methoxyethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 103606770
N-[3-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103209213
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806990

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 134005070) is N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide is COc1ccc(NC(=O)CCOCC(F)(F)F)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is UALRMHFBRLDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-18-10-4-2-9(3-5-10)16-11(17)6-7-19-8-12(13,14)15/h2-5H,6-8H2,1H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 277.24 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 134005070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).