1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate

C17H17Cl2NO4 — CID 90057801

IUPAC1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC(CO)CO
InChIInChI=1S/C17H17Cl2NO4/c18-13-5-3-6-14(19)17(13)20-15-7-2-1-4-11(15)8-16(23)24-12(9-21)10-22/h1-7,12,20-22H,8-10H2
InChIKeyAAIXLQJJGCWBKY-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.18
Rot. Bonds7

About 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate

1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 90057801) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID90057801
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC(CO)CO
InChIInChI=1S/C17H17Cl2NO4/c18-13-5-3-6-14(19)17(13)20-15-7-2-1-4-11(15)8-16(23)24-12(9-21)10-22/h1-7,12,20-22H,8-10H2
InChIKeyAAIXLQJJGCWBKY-UHFFFAOYSA-N
XLogP3.18
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide
CID 144772765
CID 158403524
CID 158403524
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
hydroxymethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;methoxymethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;molecular iodine;triiodide
CID 158388080
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 90057801) is 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate is O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC(CO)CO.
What is the InChIKey of 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is AAIXLQJJGCWBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c18-13-5-3-6-14(19)17(13)20-15-7-2-1-4-11(15)8-16(23)24-12(9-21)10-22/h1-7,12,20-22H,8-10H2.
What are the key properties of 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 370.23 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 90057801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).