(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C21H23F3N2O2 — CID 51968871

IUPAC(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O2/c1-14(2)19(26-18(27)12-15-7-4-3-5-8-15)20(28)25-13-16-9-6-10-17(11-16)21(22,23)24/h3-11,14,19H,12-13H2,1-2H3,(H,25,28)(H,26,27)/t19-/m1/s1
InChIKeyHQTXLRHTVQEJCV-LJQANCHMSA-N
MW392.42 g/mol
LogP3.71
Rot. Bonds7

About (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 51968871) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID51968871
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O2/c1-14(2)19(26-18(27)12-15-7-4-3-5-8-15)20(28)25-13-16-9-6-10-17(11-16)21(22,23)24/h3-11,14,19H,12-13H2,1-2H3,(H,25,28)(H,26,27)/t19-/m1/s1
InChIKeyHQTXLRHTVQEJCV-LJQANCHMSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
N-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 123411994
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
(2S)-2-amino-3,3-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119679736
(2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 28880698
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 51968871) is (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is HQTXLRHTVQEJCV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-14(2)19(26-18(27)12-15-7-4-3-5-8-15)20(28)25-13-16-9-6-10-17(11-16)21(22,23)24/h3-11,14,19H,12-13H2,1-2H3,(H,25,28)(H,26,27)/t19-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 392.42 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 51968871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).