(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide

C21H17ClF3NO2 — CID 28565176

IUPAC(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H17ClF3NO2/c1-2-19(28-16-9-7-13-5-3-4-6-14(13)11-16)20(27)26-18-12-15(21(23,24)25)8-10-17(18)22/h3-12,19H,2H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyWZCIVRGFZVQOPN-LJQANCHMSA-N
MW407.82 g/mol
LogP6.31
Rot. Bonds5

About (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide

(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 28565176) has the molecular formula C21H17ClF3NO2 and a molecular weight of 407.82 g/mol. Its IUPAC name is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
PubChem CID28565176
Molecular FormulaC21H17ClF3NO2
Molecular Weight407.82 g/mol
Exact Mass407.09
IUPAC Name(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C21H17ClF3NO2/c1-2-19(28-16-9-7-13-5-3-4-6-14(13)11-16)20(27)26-18-12-15(21(23,24)25)8-10-17(18)22/h3-12,19H,2H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyWZCIVRGFZVQOPN-LJQANCHMSA-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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-fluorophenoxy)butanamide
CID 46772392
(2R)-2-(2-chlorophenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 94011805
2-naphthalen-2-yloxy-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071471
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide
CID 92680808
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133160336
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,5-dimethylphenoxy)butanamide
CID 94020173
ethyl 3-chloro-4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 93486347
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxypropanamide
CID 3259116
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide (CID 28565176) is (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is WZCIVRGFZVQOPN-LJQANCHMSA-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)26-18-12-15(21(23,24)25)8-10-17(18)22/h3-12,19H,2H2,1H3,(H,26,27)/t19-/m1/s1.
What are the key properties of (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide?
(2R)-N-[2-chloro-5-(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 (2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 28565176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).