(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate

C19H20Cl2N2O3 — CID 157152797

IUPAC(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESNCCCC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c20-15-7-3-8-16(21)19(15)23-17-9-2-1-5-13(17)11-18(25)26-12-14(24)6-4-10-22/h1-3,5,7-9,23H,4,6,10-12,22H2
InChIKeyNTYBIUPVYFHTQE-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.13
Rot. Bonds9

About (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate

(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 157152797) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID157152797
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESNCCCC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c20-15-7-3-8-16(21)19(15)23-17-9-2-1-5-13(17)11-18(25)26-12-14(24)6-4-10-22/h1-3,5,7-9,23H,4,6,10-12,22H2
InChIKeyNTYBIUPVYFHTQE-UHFFFAOYSA-N
XLogP4.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 70446369
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142648888
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
[3-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-2-hydroxypropyl] nonadecanoate
CID 139790260
1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 90057801

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 157152797) is (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate is NCCCC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is NTYBIUPVYFHTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c20-15-7-3-8-16(21)19(15)23-17-9-2-1-5-13(17)11-18(25)26-12-14(24)6-4-10-22/h1-3,5,7-9,23H,4,6,10-12,22H2.
What are the key properties of (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 395.29 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 157152797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).