(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide

C21H22F3NO2 — CID 100561674

IUPAC(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H22F3NO2/c1-2-19(27-16-12-11-14-7-3-4-8-15(14)13-16)20(26)25-18-10-6-5-9-17(18)21(22,23)24/h5-6,9-13,19H,2-4,7-8H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyZBVIKHGHOCLLQM-IBGZPJMESA-N
MW377.41 g/mol
LogP5.38
Rot. Bonds5

About (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide

(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 100561674) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID100561674
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H22F3NO2/c1-2-19(27-16-12-11-14-7-3-4-8-15(14)13-16)20(26)25-18-10-6-5-9-17(18)21(22,23)24/h5-6,9-13,19H,2-4,7-8H2,1H3,(H,25,26)/t19-/m0/s1
InChIKeyZBVIKHGHOCLLQM-IBGZPJMESA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100755174
(2R)-N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100745817
N-(2-phenoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133200251
N-prop-2-enyl-2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzamide
CID 133201842
methyl 2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoylamino]benzoate
CID 133186921
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112978188
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
(2S)-N-(2-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100746467
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
(2R)-N-[(2-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100505946
N-(3-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133199833

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 100561674) is (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide is CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is ZBVIKHGHOCLLQM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-2-19(27-16-12-11-14-7-3-4-8-15(14)13-16)20(26)25-18-10-6-5-9-17(18)21(22,23)24/h5-6,9-13,19H,2-4,7-8H2,1H3,(H,25,26)/t19-/m0/s1.
What are the key properties of (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide?
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 377.41 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 100561674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).