(2-amino-3,5-dichlorophenyl) pentanoate

C11H13Cl2NO2 — CID 174707649

IUPAC(2-amino-3,5-dichlorophenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H13Cl2NO2/c1-2-3-4-10(15)16-9-6-7(12)5-8(13)11(9)14/h5-6H,2-4,14H2,1H3
InChIKeyXXAVNJSXXHDJLP-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.67
Rot. Bonds4

About (2-amino-3,5-dichlorophenyl) pentanoate

(2-amino-3,5-dichlorophenyl) pentanoate (PubChem CID 174707649) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (2-amino-3,5-dichlorophenyl) pentanoate.

Molecular Properties

Compound Name(2-amino-3,5-dichlorophenyl) pentanoate
PubChem CID174707649
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(2-amino-3,5-dichlorophenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C11H13Cl2NO2/c1-2-3-4-10(15)16-9-6-7(12)5-8(13)11(9)14/h5-6H,2-4,14H2,1H3
InChIKeyXXAVNJSXXHDJLP-UHFFFAOYSA-N
XLogP3.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-O-propyl 4-O-(2,3,5-trichlorophenyl) butanedioate
CID 91702584
(2-chloro-5-methylphenyl) pentanoate
CID 78780315
5-O-(2,3,5-trichlorophenyl) 1-O-tridec-2-ynyl pentanedioate
CID 91700618
(2,4,5-trichlorophenyl) nonanoate
CID 14658233
(2-amino-3-hydroxyphenyl) pentanoate
CID 57028782
(4,6-dichloro-1H-indol-3-yl) octanoate
CID 66912401
10-O-(2,5-dichlorophenyl) 1-O-pentyl decanedioate
CID 91729248
1-O-pentyl 5-O-(2,3,4,5-tetrachlorophenyl) pentanedioate
CID 91705446
10-O-(2,4-dichlorophenyl) 1-O-propyl decanedioate
CID 91736263
(2,3,6-trichlorophenyl) pentanoate
CID 154038193
1-O-pentyl 5-O-(2,4,5-trichlorophenyl) pentanedioate
CID 91708765
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,5-dichlorophenyl) pentanoate?
The IUPAC name of (2-amino-3,5-dichlorophenyl) pentanoate (CID 174707649) is (2-amino-3,5-dichlorophenyl) pentanoate.
What is the SMILES notation for (2-amino-3,5-dichlorophenyl) pentanoate?
The canonical SMILES for (2-amino-3,5-dichlorophenyl) pentanoate is CCCCC(=O)Oc1cc(Cl)cc(Cl)c1N.
What is the InChIKey of (2-amino-3,5-dichlorophenyl) pentanoate?
The InChIKey is XXAVNJSXXHDJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-2-3-4-10(15)16-9-6-7(12)5-8(13)11(9)14/h5-6H,2-4,14H2,1H3.
What are the key properties of (2-amino-3,5-dichlorophenyl) pentanoate?
(2-amino-3,5-dichlorophenyl) pentanoate has a molecular weight of 262.14 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,5-dichlorophenyl) pentanoate is sourced from PubChem (CID 174707649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).