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

C23H20F2N2O3 — CID 118247008

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1O)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H20F2N2O3/c1-14(16-11-17(24)13-18(25)12-16)27(23(30)19-9-5-6-10-20(19)28)21(22(26)29)15-7-3-2-4-8-15/h2-14,21,28H,1H3,(H2,26,29)/t14-,21-/m1/s1
InChIKeyRJQVGHLPISEKIW-SPLOXXLWSA-N
MW410.42 g/mol
LogP4.10
Rot. Bonds6

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

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide (PubChem CID 118247008) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide
PubChem CID118247008
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1O)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H20F2N2O3/c1-14(16-11-17(24)13-18(25)12-16)27(23(30)19-9-5-6-10-20(19)28)21(22(26)29)15-7-3-2-4-8-15/h2-14,21,28H,1H3,(H2,26,29)/t14-,21-/m1/s1
InChIKeyRJQVGHLPISEKIW-SPLOXXLWSA-N
XLogP4.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
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]-2-hydroxybenzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide (CID 118247008) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide is C[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1O)[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]-2-hydroxybenzamide?
The InChIKey is RJQVGHLPISEKIW-SPLOXXLWSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-14(16-11-17(24)13-18(25)12-16)27(23(30)19-9-5-6-10-20(19)28)21(22(26)29)15-7-3-2-4-8-15/h2-14,21,28H,1H3,(H2,26,29)/t14-,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]-2-hydroxybenzamide has a molecular weight of 410.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 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]-2-hydroxybenzamide is sourced from PubChem (CID 118247008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).