N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

C19H17F3N2O4 — CID 52850188

IUPACN-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O4/c1-26-17-10-13(11-23)2-7-16(17)28-15-5-3-14(4-6-15)24-18(25)8-9-27-12-19(20,21)22/h2-7,10H,8-9,12H2,1H3,(H,24,25)
InChIKeyXAZMMPRQLNVOIJ-UHFFFAOYSA-N
MW394.35 g/mol
LogP4.27
Rot. Bonds8

About N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 52850188) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID52850188
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)CCOCC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O4/c1-26-17-10-13(11-23)2-7-16(17)28-15-5-3-14(4-6-15)24-18(25)8-9-27-12-19(20,21)22/h2-7,10H,8-9,12H2,1H3,(H,24,25)
InChIKeyXAZMMPRQLNVOIJ-UHFFFAOYSA-N
XLogP4.27
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea
CID 164635051
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
tert-butyl N-[2-methoxy-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]phenyl]carbamate
CID 55674089
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 55721831
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide
CID 47093142
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
methyl 5-[[4-(4-cyano-2-methoxyphenoxy)phenyl]carbamoyl]-1-methylpyrrole-2-carboxylate
CID 166185327
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 52850188) is N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCOCC(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is XAZMMPRQLNVOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-26-17-10-13(11-23)2-7-16(17)28-15-5-3-14(4-6-15)24-18(25)8-9-27-12-19(20,21)22/h2-7,10H,8-9,12H2,1H3,(H,24,25).
What are the key properties of N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 394.35 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 52850188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).