magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride

C17H17Cl2MgNO2 — CID 173440972

IUPACmagnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride
SMILESC=CCN(c1ccccc1CC(=O)O)c1c(Cl)cccc1Cl.[H-].[H-].[Mg+2]
InChIInChI=1S/C17H15Cl2NO2.Mg.2H/c1-2-10-20(17-13(18)7-5-8-14(17)19)15-9-4-3-6-12(15)11-16(21)22;;;/h2-9H,1,10-11H2,(H,21,22);;;/q;+2;2*-1
InChIKeyCJGNZAXDNYLJSL-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.79
Rot. Bonds6

About magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride

magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride (PubChem CID 173440972) has the molecular formula C17H17Cl2MgNO2 and a molecular weight of 362.54 g/mol. Its IUPAC name is magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride.

Molecular Properties

Compound Namemagnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride
PubChem CID173440972
Molecular FormulaC17H17Cl2MgNO2
Molecular Weight362.54 g/mol
Exact Mass361.05
IUPAC Namemagnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride
SMILESC=CCN(c1ccccc1CC(=O)O)c1c(Cl)cccc1Cl.[H-].[H-].[Mg+2]
InChIInChI=1S/C17H15Cl2NO2.Mg.2H/c1-2-10-20(17-13(18)7-5-8-14(17)19)15-9-4-3-6-12(15)11-16(21)22;;;/h2-9H,1,10-11H2,(H,21,22);;;/q;+2;2*-1
InChIKeyCJGNZAXDNYLJSL-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);bis(2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetate)
CID 88775924
2-[2-[2,6-dichloro-N-(3-chlorobut-2-enyl)anilino]phenyl]acetic acid
CID 54370077
3-(2,6-dichloro-N-prop-2-enylanilino)propanoic acid
CID 82317554
2-[[2-(2-chlorophenyl)acetyl]-prop-2-enylamino]acetic acid
CID 79262056
3-[(2-chlorophenyl)methyl-prop-2-enylamino]propanoic acid
CID 82328005
sodium;2-(2-chlorophenyl)acetic acid;hydride
CID 174699179
2-(3-chloro-2-cyano-N-prop-2-enylanilino)acetic acid
CID 79265430
2-[2-(dichloroamino)phenyl]acetic acid
CID 140981743
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-[[(2-chlorophenyl)methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79276787
3-[(2-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108897654

Frequently Asked Questions

What is the IUPAC name of magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride?
The IUPAC name of magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride (CID 173440972) is magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride.
What is the SMILES notation for magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride?
The canonical SMILES for magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride is C=CCN(c1ccccc1CC(=O)O)c1c(Cl)cccc1Cl.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride?
The InChIKey is CJGNZAXDNYLJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2.Mg.2H/c1-2-10-20(17-13(18)7-5-8-14(17)19)15-9-4-3-6-12(15)11-16(21)22;;;/h2-9H,1,10-11H2,(H,21,22);;;/q;+2;2*-1.
What are the key properties of magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride?
magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride has a molecular weight of 362.54 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-[2-(2,6-dichloro-N-prop-2-enylanilino)phenyl]acetic acid;hydride is sourced from PubChem (CID 173440972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).