2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine

C18H20Cl2N2O3 — CID 13042167

IUPAC2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
SMILESC1COCCN1.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C4H9NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-3-6-4-2-5-1/h1-7,17H,8H2,(H,18,19);5H,1-4H2
InChIKeyCHLFQJAVIKSLEU-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.97
Rot. Bonds4

About 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine (PubChem CID 13042167) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
PubChem CID13042167
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
SMILESC1COCCN1.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C4H9NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-3-6-4-2-5-1/h1-7,17H,8H2,(H,18,19);5H,1-4H2
InChIKeyCHLFQJAVIKSLEU-UHFFFAOYSA-N
XLogP3.97
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.97
H-Bond Donors ≤ 53
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
4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 70446369
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
CID 174752797
2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
CID 12884237
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-(2,6-dichloroanilino)phenyl]acetate;tris(hydroxymethyl)-methylazanium
CID 15917937
2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]acetic acid
CID 14389786

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine (CID 13042167) is 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine is C1COCCN1.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine?
The InChIKey is CHLFQJAVIKSLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2.C4H9NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-3-6-4-2-5-1/h1-7,17H,8H2,(H,18,19);5H,1-4H2.
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine?
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine has a molecular weight of 383.28 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 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;morpholine is sourced from PubChem (CID 13042167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).