3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide

C18H19F3N2O2 — CID 47829673

IUPAC3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2NCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-25-14-9-6-13(7-10-14)8-11-17(24)23-16-5-3-2-4-15(16)22-12-18(19,20)21/h2-7,9-10,22H,8,11-12H2,1H3,(H,23,24)
InChIKeyAWNBJLLCJFRGJU-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.24
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide

3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide (PubChem CID 47829673) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
PubChem CID47829673
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2NCC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O2/c1-25-14-9-6-13(7-10-14)8-11-17(24)23-16-5-3-2-4-15(16)22-12-18(19,20)21/h2-7,9-10,22H,8,11-12H2,1H3,(H,23,24)
InChIKeyAWNBJLLCJFRGJU-UHFFFAOYSA-N
XLogP4.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
3-(4-methoxyphenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190532
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)propanamide
CID 43549510
N-[2-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 108923757
3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
CID 71682528

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide (CID 47829673) is 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccccc2NCC(F)(F)F)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
The InChIKey is AWNBJLLCJFRGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-25-14-9-6-13(7-10-14)8-11-17(24)23-16-5-3-2-4-15(16)22-12-18(19,20)21/h2-7,9-10,22H,8,11-12H2,1H3,(H,23,24).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide has a molecular weight of 352.36 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide is sourced from PubChem (CID 47829673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).