propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate

C26H26ClF3N2O3 — CID 58920050

IUPACpropyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
SMILESCCCOC(=O)N[C@](Cc1ccccc1)(c1cccc(OC(F)(F)C(C)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C26H26ClF3N2O3/c1-3-14-34-24(33)32-25(16-19-8-5-4-6-9-19,23-13-12-21(27)17-31-23)20-10-7-11-22(15-20)35-26(29,30)18(2)28/h4-13,15,17-18H,3,14,16H2,1-2H3,(H,32,33)/t18?,25-/m1/s1
InChIKeyPNHSMZGFEVJYRD-IXXGTQFESA-N
MW506.95 g/mol
LogP6.69
Rot. Bonds10

About propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate

propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate (PubChem CID 58920050) has the molecular formula C26H26ClF3N2O3 and a molecular weight of 506.95 g/mol. Its IUPAC name is propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
PubChem CID58920050
Molecular FormulaC26H26ClF3N2O3
Molecular Weight506.95 g/mol
Exact Mass506.16
IUPAC Namepropyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
SMILESCCCOC(=O)N[C@](Cc1ccccc1)(c1cccc(OC(F)(F)C(C)F)c1)c1ccc(Cl)cn1
InChIInChI=1S/C26H26ClF3N2O3/c1-3-14-34-24(33)32-25(16-19-8-5-4-6-9-19,23-13-12-21(27)17-31-23)20-10-7-11-22(15-20)35-26(29,30)18(2)28/h4-13,15,17-18H,3,14,16H2,1-2H3,(H,32,33)/t18?,25-/m1/s1
InChIKeyPNHSMZGFEVJYRD-IXXGTQFESA-N
XLogP6.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.95
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate with MolForge

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Related Compounds

2-fluoroethyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
CID 58921701
phenyl N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
CID 58921412
2,2-dimethylpropyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate
CID 58920489
naphthalen-2-yl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate
CID 58921168
3-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]-1-(2-cyanoethyl)-1-phenylurea
CID 58920708
N-[2-[[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamoylamino]phenyl]acetamide
CID 16739927
N-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]cyclopropanecarboxamide
CID 58921375
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]carbamate
CID 58920526
1-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 58920086
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]azepane-1-carboxamide
CID 58920207
1-[1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-cyclopentylurea
CID 58920821
1-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]-3-(5-chloro-1,3-thiazol-2-yl)urea
CID 58920563

Frequently Asked Questions

What is the IUPAC name of propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate?
The IUPAC name of propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate (CID 58920050) is propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate.
What is the SMILES notation for propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate?
The canonical SMILES for propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate is CCCOC(=O)N[C@](Cc1ccccc1)(c1cccc(OC(F)(F)C(C)F)c1)c1ccc(Cl)cn1.
What is the InChIKey of propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate?
The InChIKey is PNHSMZGFEVJYRD-IXXGTQFESA-N. The full InChI is InChI=1S/C26H26ClF3N2O3/c1-3-14-34-24(33)32-25(16-19-8-5-4-6-9-19,23-13-12-21(27)17-31-23)20-10-7-11-22(15-20)35-26(29,30)18(2)28/h4-13,15,17-18H,3,14,16H2,1-2H3,(H,32,33)/t18?,25-/m1/s1.
What are the key properties of propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate?
propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate has a molecular weight of 506.95 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(1R)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(1,1,2-trifluoropropoxy)phenyl]ethyl]carbamate is sourced from PubChem (CID 58920050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).