(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

C18H19F3N2O2 — CID 8797312

IUPAC(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)CCOc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-12(23(2)10-11-25-13-6-4-3-5-7-13)18(24)22-15-9-8-14(19)16(20)17(15)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyLCJDHNVVUPASOI-GFCCVEGCSA-N
MW352.36 g/mol
LogP3.44
Rot. Bonds7

About (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 8797312) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID8797312
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)CCOc1ccccc1
InChIInChI=1S/C18H19F3N2O2/c1-12(23(2)10-11-25-13-6-4-3-5-7-13)18(24)22-15-9-8-14(19)16(20)17(15)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)/t12-/m1/s1
InChIKeyLCJDHNVVUPASOI-GFCCVEGCSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 3-phenoxypropanoate
CID 9139857
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-phenylphenyl)propanamide
CID 8514606
(2S)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574471
N-(2,4-difluorophenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 18094905
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8712385
(2R)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259548
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
N-(4-cyanophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 17437572
(2S)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2439515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide (CID 8797312) is (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)CCOc1ccccc1.
What is the InChIKey of (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is LCJDHNVVUPASOI-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12(23(2)10-11-25-13-6-4-3-5-7-13)18(24)22-15-9-8-14(19)16(20)17(15)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)/t12-/m1/s1.
What are the key properties of (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 352.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 8797312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).