(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

C19H19F3N2O3 — CID 41188300

IUPAC(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C19H19F3N2O3/c1-13(25)24-16(14-7-3-2-4-8-14)11-18(26)23-12-15-9-5-6-10-17(15)27-19(20,21)22/h2-10,16H,11-12H2,1H3,(H,23,26)(H,24,25)/t16-/m1/s1
InChIKeyJIFRYWACBMIDNY-MRXNPFEDSA-N
MW380.37 g/mol
LogP3.47
Rot. Bonds7

About (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide

(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 41188300) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID41188300
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCC(=O)N[C@H](CC(=O)NCc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C19H19F3N2O3/c1-13(25)24-16(14-7-3-2-4-8-14)11-18(26)23-12-15-9-5-6-10-17(15)27-19(20,21)22/h2-10,16H,11-12H2,1H3,(H,23,26)(H,24,25)/t16-/m1/s1
InChIKeyJIFRYWACBMIDNY-MRXNPFEDSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
3-acetamido-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 63651895
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703769
3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide
CID 55810237
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
3-acetamido-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylpropanamide
CID 78810432
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 41188300) is (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is CC(=O)N[C@H](CC(=O)NCc1ccccc1OC(F)(F)F)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is JIFRYWACBMIDNY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-13(25)24-16(14-7-3-2-4-8-14)11-18(26)23-12-15-9-5-6-10-17(15)27-19(20,21)22/h2-10,16H,11-12H2,1H3,(H,23,26)(H,24,25)/t16-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 380.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 41188300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).