N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide

C22H20F3NO — CID 24855929

IUPACN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H20F3NO/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)26-21(27)13-12-16-6-4-9-18(14-16)22(23,24)25/h2-11,14-15H,12-13H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyGDEHAOJGPHEOSO-OAHLLOKOSA-N
MW371.40 g/mol
LogP5.67
Rot. Bonds5

About N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide

N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 24855929) has the molecular formula C22H20F3NO and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID24855929
Molecular FormulaC22H20F3NO
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC NameN-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H20F3NO/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)26-21(27)13-12-16-6-4-9-18(14-16)22(23,24)25/h2-11,14-15H,12-13H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyGDEHAOJGPHEOSO-OAHLLOKOSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 24855929) is N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide is C[C@@H](NC(=O)CCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GDEHAOJGPHEOSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20F3NO/c1-15(19-11-5-8-17-7-2-3-10-20(17)19)26-21(27)13-12-16-6-4-9-18(14-16)22(23,24)25/h2-11,14-15H,12-13H2,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 371.40 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24855929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).