N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide

C23H21ClN2O2 — CID 118246709

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-16(19-13-8-14-20(24)15-19)26(23(28)18-11-6-3-7-12-18)21(22(25)27)17-9-4-2-5-10-17/h2-16,21H,1H3,(H2,25,27)/t16-,21-/m1/s1
InChIKeyXJZKEYDFQQZAPA-IIBYNOLFSA-N
MW392.89 g/mol
LogP4.77
Rot. Bonds6

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

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide (PubChem CID 118246709) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
PubChem CID118246709
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
SMILESC[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-16(19-13-8-14-20(24)15-19)26(23(28)18-11-6-3-7-12-18)21(22(25)27)17-9-4-2-5-10-17/h2-16,21H,1H3,(H2,25,27)/t16-,21-/m1/s1
InChIKeyXJZKEYDFQQZAPA-IIBYNOLFSA-N
XLogP4.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-chlorophenyl)ethyl]benzamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide (CID 118246709) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide is C[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
The InChIKey is XJZKEYDFQQZAPA-IIBYNOLFSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-16(19-13-8-14-20(24)15-19)26(23(28)18-11-6-3-7-12-18)21(22(25)27)17-9-4-2-5-10-17/h2-16,21H,1H3,(H2,25,27)/t16-,21-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide has a molecular weight of 392.89 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide is sourced from PubChem (CID 118246709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).