(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide

C21H17ClF3NO2 — CID 92680808

IUPAC(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H17ClF3NO2/c1-2-19(28-16-9-7-13-5-3-4-6-14(13)11-16)20(27)26-15-8-10-18(22)17(12-15)21(23,24)25/h3-12,19H,2H2,1H3,(H,26,27)/t19-/m0/s1
InChIKeyCXCXJTSMXREURN-IBGZPJMESA-N
MW407.82 g/mol
LogP6.31
Rot. Bonds5

About (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide

(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 92680808) has the molecular formula C21H17ClF3NO2 and a molecular weight of 407.82 g/mol. Its IUPAC name is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
PubChem CID92680808
Molecular FormulaC21H17ClF3NO2
Molecular Weight407.82 g/mol
Exact Mass407.09
IUPAC Name(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H17ClF3NO2/c1-2-19(28-16-9-7-13-5-3-4-6-14(13)11-16)20(27)26-15-8-10-18(22)17(12-15)21(23,24)25/h3-12,19H,2H2,1H3,(H,26,27)/t19-/m0/s1
InChIKeyCXCXJTSMXREURN-IBGZPJMESA-N
XLogP6.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.82
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-methylphenoxy)butanamide
CID 43886287
(2S)-N-(3-chloro-4-methylphenyl)-2-naphthalen-2-yloxybutanamide
CID 94016054
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 28565176
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,3-dimethylphenoxy)butanamide
CID 92672729
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923
(2S)-2-(3,4-dimethylphenoxy)-N-naphthalen-2-ylbutanamide
CID 28636461
methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide (CID 92680808) is (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is CXCXJTSMXREURN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17ClF3NO2/c1-2-19(28-16-9-7-13-5-3-4-6-14(13)11-16)20(27)26-15-8-10-18(22)17(12-15)21(23,24)25/h3-12,19H,2H2,1H3,(H,26,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 407.82 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 92680808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).