N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide

C25H21F5N2O3 — CID 118246848

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccc(OCC(F)(F)F)cc1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C25H21F5N2O3/c1-15(18-11-19(26)13-20(27)12-18)32(22(23(31)33)16-5-3-2-4-6-16)24(34)17-7-9-21(10-8-17)35-14-25(28,29)30/h2-13,15,22H,14H2,1H3,(H2,31,33)/t15-,22-/m1/s1
InChIKeyHKKOIZMOOPLWKH-IVZQSRNASA-N
MW492.44 g/mol
LogP5.34
Rot. Bonds8

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 118246848) has the molecular formula C25H21F5N2O3 and a molecular weight of 492.44 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID118246848
Molecular FormulaC25H21F5N2O3
Molecular Weight492.44 g/mol
Exact Mass492.15
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccc(OCC(F)(F)F)cc1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C25H21F5N2O3/c1-15(18-11-19(26)13-20(27)12-18)32(22(23(31)33)16-5-3-2-4-6-16)24(34)17-7-9-21(10-8-17)35-14-25(28,29)30/h2-13,15,22H,14H2,1H3,(H2,31,33)/t15-,22-/m1/s1
InChIKeyHKKOIZMOOPLWKH-IVZQSRNASA-N
XLogP5.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide (CID 118246848) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide is C[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccc(OCC(F)(F)F)cc1)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is HKKOIZMOOPLWKH-IVZQSRNASA-N. The full InChI is InChI=1S/C25H21F5N2O3/c1-15(18-11-19(26)13-20(27)12-18)32(22(23(31)33)16-5-3-2-4-6-16)24(34)17-7-9-21(10-8-17)35-14-25(28,29)30/h2-13,15,22H,14H2,1H3,(H2,31,33)/t15-,22-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 492.44 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 118246848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).