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

C24H21FN4O2 — CID 118247009

IUPAC2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide
SMILESC[C@H](c1cc(F)cc(C#N)c1)N(C(=O)c1ccccc1N)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C24H21FN4O2/c1-15(18-11-16(14-26)12-19(25)13-18)29(24(31)20-9-5-6-10-21(20)27)22(23(28)30)17-7-3-2-4-8-17/h2-13,15,22H,27H2,1H3,(H2,28,30)/t15-,22-/m1/s1
InChIKeyDSDQIRSWGQXWIS-IVZQSRNASA-N
MW416.46 g/mol
LogP3.71
Rot. Bonds6

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

2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide (PubChem CID 118247009) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide
PubChem CID118247009
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide
SMILESC[C@H](c1cc(F)cc(C#N)c1)N(C(=O)c1ccccc1N)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C24H21FN4O2/c1-15(18-11-16(14-26)12-19(25)13-18)29(24(31)20-9-5-6-10-21(20)27)22(23(28)30)17-7-3-2-4-8-17/h2-13,15,22H,27H2,1H3,(H2,28,30)/t15-,22-/m1/s1
InChIKeyDSDQIRSWGQXWIS-IVZQSRNASA-N
XLogP3.71
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-cyano-5-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide (CID 118247009) is 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide is C[C@H](c1cc(F)cc(C#N)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-cyano-5-fluorophenyl)ethyl]benzamide?
The InChIKey is DSDQIRSWGQXWIS-IVZQSRNASA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-15(18-11-16(14-26)12-19(25)13-18)29(24(31)20-9-5-6-10-21(20)27)22(23(28)30)17-7-3-2-4-8-17/h2-13,15,22H,27H2,1H3,(H2,28,30)/t15-,22-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide?
2-amino-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-cyano-5-fluorophenyl)ethyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-cyano-5-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 118247009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).