(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one

C23H22ClNO2 — CID 59607810

IUPAC(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one
SMILESN[C@@H](CC(=O)COc1ccccc1)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H22ClNO2/c24-20-6-4-5-19(14-20)18-11-9-17(10-12-18)13-21(25)15-22(26)16-27-23-7-2-1-3-8-23/h1-12,14,21H,13,15-16,25H2/t21-/m1/s1
InChIKeyJPYAGMBUVNPXEN-OAQYLSRUSA-N
MW379.89 g/mol
LogP4.91
Rot. Bonds8

About (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one

(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one (PubChem CID 59607810) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one.

Molecular Properties

Compound Name(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one
PubChem CID59607810
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one
SMILESN[C@@H](CC(=O)COc1ccccc1)Cc1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H22ClNO2/c24-20-6-4-5-19(14-20)18-11-9-17(10-12-18)13-21(25)15-22(26)16-27-23-7-2-1-3-8-23/h1-12,14,21H,13,15-16,25H2/t21-/m1/s1
InChIKeyJPYAGMBUVNPXEN-OAQYLSRUSA-N
XLogP4.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
CID 123714771
ethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 90399401
(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
CID 141436142
acetyloxymethyl 4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 123806863
chloromethane;methyl (2R,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate;methyl (2S,3R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-hydroxybutanoate
CID 159151888
1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
(2S,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-(2-ethoxyethyl)-2-methylpentanoic acid
CID 155105000
2,2,3,3,3-pentafluoropropyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 86705141
(2S)-3-[4-(3-chlorophenyl)phenyl]-2-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 58280549
ethoxycarbonyloxymethyl (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
CID 129017032
ethyl (2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoate
CID 67208813
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 3631473

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one?
The IUPAC name of (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one (CID 59607810) is (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one.
What is the SMILES notation for (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one?
The canonical SMILES for (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one is N[C@@H](CC(=O)COc1ccccc1)Cc1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one?
The InChIKey is JPYAGMBUVNPXEN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22ClNO2/c24-20-6-4-5-19(14-20)18-11-9-17(10-12-18)13-21(25)15-22(26)16-27-23-7-2-1-3-8-23/h1-12,14,21H,13,15-16,25H2/t21-/m1/s1.
What are the key properties of (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one?
(4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one has a molecular weight of 379.89 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-1-phenoxypentan-2-one is sourced from PubChem (CID 59607810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).