sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride

C14H12Cl2NNaO2 — CID 173055084

IUPACsodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride
SMILESCC(=O)Oc1ccccc1Nc1c(Cl)cccc1Cl.[H-].[Na+]
InChIInChI=1S/C14H11Cl2NO2.Na.H/c1-9(18)19-13-8-3-2-7-12(13)17-14-10(15)5-4-6-11(14)16;;/h2-8,17H,1H3;;/q;+1;-1
InChIKeyJEUFJRABSRHCSR-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.78
Rot. Bonds3

About sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride

sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride (PubChem CID 173055084) has the molecular formula C14H12Cl2NNaO2 and a molecular weight of 320.15 g/mol. Its IUPAC name is sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride.

Molecular Properties

Compound Namesodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride
PubChem CID173055084
Molecular FormulaC14H12Cl2NNaO2
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Namesodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride
SMILESCC(=O)Oc1ccccc1Nc1c(Cl)cccc1Cl.[H-].[Na+]
InChIInChI=1S/C14H11Cl2NO2.Na.H/c1-9(18)19-13-8-3-2-7-12(13)17-14-10(15)5-4-6-11(14)16;;/h2-8,17H,1H3;;/q;+1;-1
InChIKeyJEUFJRABSRHCSR-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate
CID 70597888
[2-(2,6-dichloroanilino)phenyl] 4-(dipropylamino)-2-[2-(dipropylamino)ethyl]butanoate
CID 68797097
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
[2-(2,3-dichlorobenzoyl)phenyl] acetate
CID 24722904
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
[2-[(2-chlorophenyl)carbamothioylcarbamoyl]phenyl] acetate
CID 71388857
sodium 2-[2-(2,6-dichloroanilino)phenyl]butanoate
CID 23672276
acetyl 2-(2,6-dichloroanilino)-3-methylbenzoate
CID 174742903
sodium;acetic acid;2,6-dichloro-N-phenylaniline
CID 175727761
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153

Frequently Asked Questions

What is the IUPAC name of sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride?
The IUPAC name of sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride (CID 173055084) is sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride.
What is the SMILES notation for sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride?
The canonical SMILES for sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride is CC(=O)Oc1ccccc1Nc1c(Cl)cccc1Cl.[H-].[Na+].
What is the InChIKey of sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride?
The InChIKey is JEUFJRABSRHCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2.Na.H/c1-9(18)19-13-8-3-2-7-12(13)17-14-10(15)5-4-6-11(14)16;;/h2-8,17H,1H3;;/q;+1;-1.
What are the key properties of sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride?
sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride has a molecular weight of 320.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride is sourced from PubChem (CID 173055084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).