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

C23H21F2N3O2 — CID 118246845

IUPAC2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1N)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H21F2N3O2/c1-14(16-11-17(24)13-18(25)12-16)28(23(30)19-9-5-6-10-20(19)26)21(22(27)29)15-7-3-2-4-8-15/h2-14,21H,26H2,1H3,(H2,27,29)/t14-,21-/m1/s1
InChIKeyZJVZWZAQXWIKKN-SPLOXXLWSA-N
MW409.44 g/mol
LogP3.98
Rot. Bonds6

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

2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide (PubChem CID 118246845) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide
PubChem CID118246845
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide
SMILESC[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1N)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H21F2N3O2/c1-14(16-11-17(24)13-18(25)12-16)28(23(30)19-9-5-6-10-20(19)26)21(22(27)29)15-7-3-2-4-8-15/h2-14,21H,26H2,1H3,(H2,27,29)/t14-,21-/m1/s1
InChIKeyZJVZWZAQXWIKKN-SPLOXXLWSA-N
XLogP3.98
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide (CID 118246845) is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide is C[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1N)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide?
The InChIKey is ZJVZWZAQXWIKKN-SPLOXXLWSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c1-14(16-11-17(24)13-18(25)12-16)28(23(30)19-9-5-6-10-20(19)26)21(22(27)29)15-7-3-2-4-8-15/h2-14,21H,26H2,1H3,(H2,27,29)/t14-,21-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide?
2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide has a molecular weight of 409.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3,5-difluorophenyl)ethyl]benzamide is sourced from PubChem (CID 118246845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).