2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide

C18H16F3N3O2 — CID 60583084

IUPAC2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H16F3N3O2/c1-12(17(25)23-11-18(19,20)21)24-14-6-8-15(9-7-14)26-16-5-3-2-4-13(16)10-22/h2-9,12,24H,11H2,1H3,(H,23,25)
InChIKeyXJPABMQXGZYYLQ-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide

2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 60583084) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID60583084
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NCC(F)(F)F
InChIInChI=1S/C18H16F3N3O2/c1-12(17(25)23-11-18(19,20)21)24-14-6-8-15(9-7-14)26-16-5-3-2-4-13(16)10-22/h2-9,12,24H,11H2,1H3,(H,23,25)
InChIKeyXJPABMQXGZYYLQ-UHFFFAOYSA-N
XLogP3.83
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 47486344
2-[4-(2-cyanophenoxy)anilino]-N-(2,6-dimethylphenyl)propanamide
CID 47486358
2-[4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]phenoxy]benzonitrile
CID 47072913
2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
CID 52507271
2-[4-(2-cyanophenoxy)anilino]-N-(cyclopentylcarbamoyl)propanamide
CID 47486362
1-[4-(2-cyanophenoxy)phenyl]-3-(3-methylbutan-2-yl)urea
CID 60576984
(2R)-2-[4-(4-bromophenoxy)anilino]-N-(2-cyanophenyl)propanamide
CID 40792700
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
2-[3-cyano-4-[4-(trifluoromethyl)phenoxy]anilino]propanamide
CID 166208993
2-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43506326
2-(2-cyanophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65110496
(2R)-2-(3-chloro-4-cyanophenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 99830335

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide (CID 60583084) is 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1ccc(Oc2ccccc2C#N)cc1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is XJPABMQXGZYYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-12(17(25)23-11-18(19,20)21)24-14-6-8-15(9-7-14)26-16-5-3-2-4-13(16)10-22/h2-9,12,24H,11H2,1H3,(H,23,25).
What are the key properties of 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 363.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenoxy)anilino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 60583084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).