[(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate

C19H19ClF3N3O4 — CID 118497729

IUPAC[(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate
SMILESC[C@@H](NC(=O)C[C@@H](OC(N)=O)c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H19ClF3N3O4/c1-11(15-7-6-14(9-25-15)29-10-19(21,22)23)26-17(27)8-16(30-18(24)28)12-2-4-13(20)5-3-12/h2-7,9,11,16H,8,10H2,1H3,(H2,24,28)(H,26,27)/t11-,16-/m1/s1
InChIKeyLEHAJNUAGRHXHD-BDJLRTHQSA-N
MW445.83 g/mol
LogP4.08
Rot. Bonds8

About [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate

[(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate (PubChem CID 118497729) has the molecular formula C19H19ClF3N3O4 and a molecular weight of 445.83 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate
PubChem CID118497729
Molecular FormulaC19H19ClF3N3O4
Molecular Weight445.83 g/mol
Exact Mass445.10
IUPAC Name[(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate
SMILESC[C@@H](NC(=O)C[C@@H](OC(N)=O)c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C19H19ClF3N3O4/c1-11(15-7-6-14(9-25-15)29-10-19(21,22)23)26-17(27)8-16(30-18(24)28)12-2-4-13(20)5-3-12/h2-7,9,11,16H,8,10H2,1H3,(H2,24,28)(H,26,27)/t11-,16-/m1/s1
InChIKeyLEHAJNUAGRHXHD-BDJLRTHQSA-N
XLogP4.08
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.83
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate with MolForge

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Related Compounds

3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
[(1S)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]-1-[4-(trifluoromethyl)phenyl]propyl]carbamic acid
CID 118286635
2-(6-chloro-5-fluoro-3-pyridinyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 162543824
2-[4-(3,4-difluorophenyl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 70311806
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853
2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 118497834
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 87341437
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide
CID 67290649
5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
CID 67289991

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate (CID 118497729) is [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate is C[C@@H](NC(=O)C[C@@H](OC(N)=O)c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate?
The InChIKey is LEHAJNUAGRHXHD-BDJLRTHQSA-N. The full InChI is InChI=1S/C19H19ClF3N3O4/c1-11(15-7-6-14(9-25-15)29-10-19(21,22)23)26-17(27)8-16(30-18(24)28)12-2-4-13(20)5-3-12/h2-7,9,11,16H,8,10H2,1H3,(H2,24,28)(H,26,27)/t11-,16-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate?
[(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate has a molecular weight of 445.83 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-3-oxo-3-[[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]amino]propyl] carbamate is sourced from PubChem (CID 118497729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).