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

C23H20F3NO2 — CID 25166902

IUPAC1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate
SMILESC=CC(OC(=O)NC(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)
InChIKeyJWYDADZFLDXJEQ-UHFFFAOYSA-N
MW399.41 g/mol
LogP6.57
Rot. Bonds5

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

1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate (PubChem CID 25166902) 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-(1-naphthalen-1-ylethyl)carbamate.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate
PubChem CID25166902
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate
SMILESC=CC(OC(=O)NC(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)
InChIKeyJWYDADZFLDXJEQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate (CID 25166902) is 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate is C=CC(OC(=O)NC(C)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate?
The InChIKey is JWYDADZFLDXJEQ-UHFFFAOYSA-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).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(1-naphthalen-1-ylethyl)carbamate?
1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-(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-(1-naphthalen-1-ylethyl)carbamate is sourced from PubChem (CID 25166902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).