N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide

C18H19F3N2O2 — CID 43068367

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O2/c1-12(25-14-7-5-4-6-8-14)17(24)22-16-10-9-13(23(2)3)11-15(16)18(19,20)21/h4-12H,1-3H3,(H,22,24)
InChIKeyRXDAJBOYPHOTGP-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.18
Rot. Bonds5

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide (PubChem CID 43068367) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
PubChem CID43068367
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F
InChIInChI=1S/C18H19F3N2O2/c1-12(25-14-7-5-4-6-8-14)17(24)22-16-10-9-13(23(2)3)11-15(16)18(19,20)21/h4-12H,1-3H3,(H,22,24)
InChIKeyRXDAJBOYPHOTGP-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 55672094
N-[4-(2-phenoxypropanoylamino)-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46698388
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46509122
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 46426415
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 18281244
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide (CID 43068367) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The InChIKey is RXDAJBOYPHOTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12(25-14-7-5-4-6-8-14)17(24)22-16-10-9-13(23(2)3)11-15(16)18(19,20)21/h4-12H,1-3H3,(H,22,24).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide has a molecular weight of 352.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 43068367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).