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

C14H13Cl2NO2Sr — CID 173032882

IUPACstrontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
SMILES[H-].[H-].C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl.[Sr+2]
InChIInChI=1S/C14H11Cl2NO2.Sr.2H/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;;;/h1-7,17H,8H2,(H,18,19);;;/q;+2;2*-1
InChIKeyYPRNSPIUNZGXCE-UHFFFAOYSA-N
MW385.80 g/mol
LogP—
Rot. Bonds4

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

Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride (PubChem CID 173032882) has the molecular formula C14H13Cl2NO2Sr and a molecular weight of 385.80 g/mol. Its IUPAC name is strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride.

Molecular Properties

Compound NameStrontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
PubChem CID173032882
Molecular FormulaC14H13Cl2NO2Sr
Molecular Weight385.80 g/mol
Exact Mass384.94
IUPAC Namestrontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
SMILES[H-].[H-].C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl.[Sr+2]
InChIInChI=1S/C14H11Cl2NO2.Sr.2H/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;;;/h1-7,17H,8H2,(H,18,19);;;/q;+2;2*-1
InChIKeyYPRNSPIUNZGXCE-UHFFFAOYSA-N
XLogP—
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity304

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Diclofenac
CID 3033
Diclofenac sodium
CID 5018304
Aceclofenac
CID 71771
Lumiracoxib
CID 151166
4'-Hydroxydiclofenac
CID 116545
Diclofenac Potassium
CID 23667642
Arthrotec
CID 3032
Diclofenac Epolamine
CID 114753
Diclofenac Diethylamine
CID 115087
2-Anilinophenylacetic acid
CID 854057
Diclofenac methyl ester
CID 519102
2-(2-(2-Chlorophenylamino)phenyl)acetic acid
CID 13752584

Frequently Asked Questions

What is the IUPAC name of Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride?
The IUPAC name of Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride (CID 173032882) is strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride.
What is the SMILES notation for Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride?
The canonical SMILES for Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride is [H-].[H-].C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl.[Sr+2].
What is the InChIKey of Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride?
The InChIKey is YPRNSPIUNZGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2.Sr.2H/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;;;/h1-7,17H,8H2,(H,18,19);;;/q;+2;2*-1.
What are the key properties of Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride?
Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride has a molecular weight of 385.80 g/mol, XLogP of not available, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride is sourced from PubChem (CID 173032882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).