2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol

C20H26Cl2N2O3 — CID 174752797

IUPAC2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(C)O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C6H15NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-4-7-5-6(2,3)8/h1-7,17H,8H2,(H,18,19);7-8H,4-5H2,1-3H3
InChIKeyZDIAHPCQFJXQBX-UHFFFAOYSA-N
MW413.35 g/mol
LogP4.73
Rot. Bonds7

About 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol (PubChem CID 174752797) has the molecular formula C20H26Cl2N2O3 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
PubChem CID174752797
Molecular FormulaC20H26Cl2N2O3
Molecular Weight413.35 g/mol
Exact Mass412.13
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(C)O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C6H15NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-4-7-5-6(2,3)8/h1-7,17H,8H2,(H,18,19);7-8H,4-5H2,1-3H3
InChIKeyZDIAHPCQFJXQBX-UHFFFAOYSA-N
XLogP4.73
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
CID 87829814
CID 87829814
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
CID 13042167
2-[2-(2,6-dichloroanilino)-6-methylphenyl]acetic acid
CID 142968081
4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 70446369
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 11628651
2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
CID 14389786
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
CID 12884237

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol (CID 174752797) is 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(C)O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is ZDIAHPCQFJXQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2.C6H15NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-4-7-5-6(2,3)8/h1-7,17H,8H2,(H,18,19);7-8H,4-5H2,1-3H3.
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol?
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 413.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 174752797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).