1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate

C23H20F3NO2 — CID 134843457

IUPAC1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESC=CC(OC(=O)N[C@H](C)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3NO2/c1-3-21(17-10-6-11-18(14-17)23(24,25)26)29-22(28)27-15(2)19-13-7-9-16-8-4-5-12-20(16)19/h3-15,21H,1H2,2H3,(H,27,28)/t15-,21?/m1/s1
InChIKeyJWYDADZFLDXJEQ-RBFZIWAESA-N
MW399.41 g/mol
LogP6.57
Rot. Bonds5

About 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate

1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate (PubChem CID 134843457) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
PubChem CID134843457
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
SMILESC=CC(OC(=O)N[C@H](C)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3NO2/c1-3-21(17-10-6-11-18(14-17)23(24,25)26)29-22(28)27-15(2)19-13-7-9-16-8-4-5-12-20(16)19/h3-15,21H,1H2,2H3,(H,27,28)/t15-,21?/m1/s1
InChIKeyJWYDADZFLDXJEQ-RBFZIWAESA-N
XLogP6.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzyl 1-phenylethylcarbamate
CID 9837961
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(3-naphthalen-1-ylpropyl)-1,3-oxazolidin-2-one
CID 137660313
naphthalen-1-ylmethyl N-cyclohexylcarbamate
CID 22978777
9-anthrylmethyl N-cyclohexylcarbamate
CID 22978795
US11141410, Example 6
CID 129273422
alpha-Oxycarbanilinophosphonate, 4l
CID 101962164
Cinacalcet carbamate
CID 15949807
benzyl N-[(2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-yl]carbamate
CID 89090977
Carbamic acid, (3,3-difluoro-1-(1-naphthalenylmethyl)-2,4-dioxo-4-((phenylmethyl)amino)butyl)-, phenylmethyl ester
CID 454612
[(1R)-2,2,2-trifluoro-1-[10-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]carbamoyloxy]ethyl]anthracen-9-yl]ethyl] N-[(1S)-1-phenylethyl]carbamate
CID 11125233
benzyl N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 101836032
[3-[[(1R)-1-naphthalen-1-ylethyl]azaniumyl]-1-[3-(trifluoromethyl)phenyl]propyl] sulfate
CID 134843315

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate (CID 134843457) is 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate is C=CC(OC(=O)N[C@H](C)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
The InChIKey is JWYDADZFLDXJEQ-RBFZIWAESA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-3-21(17-10-6-11-18(14-17)23(24,25)26)29-22(28)27-15(2)19-13-7-9-16-8-4-5-12-20(16)19/h3-15,21H,1H2,2H3,(H,27,28)/t15-,21?/m1/s1.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate?
1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate has a molecular weight of 399.41 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate is sourced from PubChem (CID 134843457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).