pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

C19H21Cl2NO2 — CID 59514929

IUPACpentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO2/c1-2-3-6-12-24-18(23)13-14-8-4-5-11-17(14)22-19-15(20)9-7-10-16(19)21/h4-5,7-11,22H,2-3,6,12-13H2,1H3
InChIKeyNILVILFHWPEMOJ-UHFFFAOYSA-N
MW366.29 g/mol
LogP6.01
Rot. Bonds8

About pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 59514929) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Namepentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID59514929
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC Namepentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H21Cl2NO2/c1-2-3-6-12-24-18(23)13-14-8-4-5-11-17(14)22-19-15(20)9-7-10-16(19)21/h4-5,7-11,22H,2-3,6,12-13H2,1H3
InChIKeyNILVILFHWPEMOJ-UHFFFAOYSA-N
XLogP6.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
[3-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-2-hydroxypropyl] nonadecanoate
CID 139790260
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 16686790
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
CID 174078245
CID 174078245
3-(4-methylpiperidin-1-yl)propyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142844653
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 162078878

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 59514929) is pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is CCCCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is NILVILFHWPEMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-2-3-6-12-24-18(23)13-14-8-4-5-11-17(14)22-19-15(20)9-7-10-16(19)21/h4-5,7-11,22H,2-3,6,12-13H2,1H3.
What are the key properties of pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 366.29 g/mol, XLogP of 6.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 59514929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).