N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide

C20H23F3N2O2 — CID 18281244

IUPACN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C20H23F3N2O2/c1-4-25(5-2)18-12-11-15(20(21,22)23)13-17(18)24-19(26)14(3)27-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,24,26)
InChIKeyCPBIHFLQBJCCSO-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.96
Rot. Bonds7

About N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide

N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide (PubChem CID 18281244) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
PubChem CID18281244
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
SMILESCCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C20H23F3N2O2/c1-4-25(5-2)18-12-11-15(20(21,22)23)13-17(18)24-19(26)14(3)27-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,24,26)
InChIKeyCPBIHFLQBJCCSO-UHFFFAOYSA-N
XLogP4.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)propanamide
CID 8012046
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 43068367
4-[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]oxy-N-(2-ethoxyphenyl)benzamide
CID 4055433
N-(2-bromo-4-tert-butylphenyl)-2-phenoxypropanamide
CID 53268387
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696603
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514
1-benzyl-N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30997583
[1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)propanoate
CID 3275818
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide (CID 18281244) is N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide is CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
The InChIKey is CPBIHFLQBJCCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-4-25(5-2)18-12-11-15(20(21,22)23)13-17(18)24-19(26)14(3)27-16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide?
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide has a molecular weight of 380.41 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 18281244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).