2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide

C16H20ClF3N2O3 — CID 86997262

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C16H20ClF3N2O3/c1-10-7-12(17)5-6-13(10)25-11(2)15(24)22(9-16(18,19)20)8-14(23)21(3)4/h5-7,11H,8-9H2,1-4H3
InChIKeyLKKLZPFGTIMQCJ-UHFFFAOYSA-N
MW380.79 g/mol
LogP2.89
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 86997262) has the molecular formula C16H20ClF3N2O3 and a molecular weight of 380.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID86997262
Molecular FormulaC16H20ClF3N2O3
Molecular Weight380.79 g/mol
Exact Mass380.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C16H20ClF3N2O3/c1-10-7-12(17)5-6-13(10)25-11(2)15(24)22(9-16(18,19)20)8-14(23)21(3)4/h5-7,11H,8-9H2,1-4H3
InChIKeyLKKLZPFGTIMQCJ-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56511419
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
2-(2-bromo-4-chlorophenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 55542764
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
2-(4-chloro-2-methylphenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576645
2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509742
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743
(2R)-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 95979819

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 86997262) is 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LKKLZPFGTIMQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O3/c1-10-7-12(17)5-6-13(10)25-11(2)15(24)22(9-16(18,19)20)8-14(23)21(3)4/h5-7,11H,8-9H2,1-4H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 380.79 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 86997262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).