[(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate

C23H22F3NO2 — CID 69175334

IUPAC[(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate
SMILESC[C@](CCCc1cccc(C(F)(F)F)c1)(OC(N)=O)c1cccc2ccccc12
InChIInChI=1S/C23H22F3NO2/c1-22(29-21(27)28,20-13-5-10-17-9-2-3-12-19(17)20)14-6-8-16-7-4-11-18(15-16)23(24,25)26/h2-5,7,9-13,15H,6,8,14H2,1H3,(H2,27,28)/t22-/m1/s1
InChIKeyMXPMLOINKZRDAQ-JOCHJYFZSA-N
MW401.43 g/mol
LogP6.19
Rot. Bonds6

About [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate

[(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate (PubChem CID 69175334) has the molecular formula C23H22F3NO2 and a molecular weight of 401.43 g/mol. Its IUPAC name is [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate
PubChem CID69175334
Molecular FormulaC23H22F3NO2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name[(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate
SMILESC[C@](CCCc1cccc(C(F)(F)F)c1)(OC(N)=O)c1cccc2ccccc12
InChIInChI=1S/C23H22F3NO2/c1-22(29-21(27)28,20-13-5-10-17-9-2-3-12-19(17)20)14-6-8-16-7-4-11-18(15-16)23(24,25)26/h2-5,7,9-13,15H,6,8,14H2,1H3,(H2,27,28)/t22-/m1/s1
InChIKeyMXPMLOINKZRDAQ-JOCHJYFZSA-N
XLogP6.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate?
The IUPAC name of [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate (CID 69175334) is [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate.
What is the SMILES notation for [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate?
The canonical SMILES for [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate is C[C@](CCCc1cccc(C(F)(F)F)c1)(OC(N)=O)c1cccc2ccccc12.
What is the InChIKey of [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate?
The InChIKey is MXPMLOINKZRDAQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22F3NO2/c1-22(29-21(27)28,20-13-5-10-17-9-2-3-12-19(17)20)14-6-8-16-7-4-11-18(15-16)23(24,25)26/h2-5,7,9-13,15H,6,8,14H2,1H3,(H2,27,28)/t22-/m1/s1.
What are the key properties of [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate?
[(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate has a molecular weight of 401.43 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentan-2-yl] carbamate is sourced from PubChem (CID 69175334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).