3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

C18H24ClF3N2O2 — CID 56530878

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(=O)NC(CC(=O)N(CC(C)(C)C)CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClF3N2O2/c1-12(25)23-15(13-5-7-14(19)8-6-13)9-16(26)24(10-17(2,3)4)11-18(20,21)22/h5-8,15H,9-11H2,1-4H3,(H,23,25)
InChIKeyIIBJTZSIAGBTHG-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.34
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 56530878) has the molecular formula C18H24ClF3N2O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID56530878
Molecular FormulaC18H24ClF3N2O2
Molecular Weight392.85 g/mol
Exact Mass392.15
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(=O)NC(CC(=O)N(CC(C)(C)C)CC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C18H24ClF3N2O2/c1-12(25)23-15(13-5-7-14(19)8-6-13)9-16(26)24(10-17(2,3)4)11-18(20,21)22/h5-8,15H,9-11H2,1-4H3,(H,23,25)
InChIKeyIIBJTZSIAGBTHG-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
3-acetamido-3-(4-chlorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
CID 46531618
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 51314639
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
3-acetamido-3-(4-chlorophenyl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55594929
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
[1-(tert-butylamino)-1-oxopropan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46625327
3-acetamido-N-(1-amino-1-oxopropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 134045689
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 51312505

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 56530878) is 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is CC(=O)NC(CC(=O)N(CC(C)(C)C)CC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IIBJTZSIAGBTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClF3N2O2/c1-12(25)23-15(13-5-7-14(19)8-6-13)9-16(26)24(10-17(2,3)4)11-18(20,21)22/h5-8,15H,9-11H2,1-4H3,(H,23,25).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 392.85 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 56530878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).