(5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione

C21H24ClNO3 — CID 158637805

IUPAC(5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione
SMILESN[C@H](CCC(=O)Cc1ccc(Oc2ccccc2)cc1)C(=O)CCCCl
InChIInChI=1S/C21H24ClNO3/c22-14-4-7-21(25)20(23)13-10-17(24)15-16-8-11-19(12-9-16)26-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20H,4,7,10,13-15,23H2/t20-/m1/s1
InChIKeyHZZJUXOWURFYBM-HXUWFJFHSA-N
MW373.88 g/mol
LogP4.29
Rot. Bonds11

About (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione

(5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione (PubChem CID 158637805) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione.

Molecular Properties

Compound Name(5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione
PubChem CID158637805
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name(5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione
SMILESN[C@H](CCC(=O)Cc1ccc(Oc2ccccc2)cc1)C(=O)CCCCl
InChIInChI=1S/C21H24ClNO3/c22-14-4-7-21(25)20(23)13-10-17(24)15-16-8-11-19(12-9-16)26-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20H,4,7,10,13-15,23H2/t20-/m1/s1
InChIKeyHZZJUXOWURFYBM-HXUWFJFHSA-N
XLogP4.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione with MolForge

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Related Compounds

6-chloro-1-(4-phenoxyphenyl)hexan-2-one
CID 176903490
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
1-(4-phenoxyphenyl)-7-propan-2-ylsulfonylheptan-2-one
CID 58145546
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one
CID 59660716
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
(3R)-3-amino-4-[4-(4-phenoxyphenoxy)phenyl]butan-2-one;hydrochloride
CID 159787435
2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one
CID 19381349
benzyl 2-amino-7-(4-phenoxyphenoxy)heptanoate
CID 67648330
N-methyl-2-(4-phenoxyphenyl)acetamide
CID 20806825
(2S)-2-amino-6-phenyl-1-(4-phenylmethoxyphenyl)hexan-3-one;hydrochloride
CID 67808775
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione?
The IUPAC name of (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione (CID 158637805) is (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione.
What is the SMILES notation for (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione?
The canonical SMILES for (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione is N[C@H](CCC(=O)Cc1ccc(Oc2ccccc2)cc1)C(=O)CCCCl.
What is the InChIKey of (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione?
The InChIKey is HZZJUXOWURFYBM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H24ClNO3/c22-14-4-7-21(25)20(23)13-10-17(24)15-16-8-11-19(12-9-16)26-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20H,4,7,10,13-15,23H2/t20-/m1/s1.
What are the key properties of (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione?
(5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione has a molecular weight of 373.88 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-9-chloro-1-(4-phenoxyphenyl)nonane-2,6-dione is sourced from PubChem (CID 158637805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).