potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate

C15H13ClKNO2 — CID 163956747

IUPACpotassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate
SMILESCc1c(Cl)cccc1Nc1ccccc1CC(=O)[O-].[K+]
InChIInChI=1S/C15H14ClNO2.K/c1-10-12(16)6-4-8-13(10)17-14-7-3-2-5-11(14)9-15(18)19;/h2-8,17H,9H2,1H3,(H,18,19);/q;+1/p-1
InChIKeySEAJGEJITBMQGI-UHFFFAOYSA-M
MW313.83 g/mol
LogP-0.31
Rot. Bonds4

About potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate

potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate (PubChem CID 163956747) has the molecular formula C15H13ClKNO2 and a molecular weight of 313.83 g/mol. Its IUPAC name is potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate.

Molecular Properties

Compound Namepotassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate
PubChem CID163956747
Molecular FormulaC15H13ClKNO2
Molecular Weight313.83 g/mol
Exact Mass313.03
IUPAC Namepotassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate
SMILESCc1c(Cl)cccc1Nc1ccccc1CC(=O)[O-].[K+]
InChIInChI=1S/C15H14ClNO2.K/c1-10-12(16)6-4-8-13(10)17-14-7-3-2-5-11(14)9-15(18)19;/h2-8,17H,9H2,1H3,(H,18,19);/q;+1/p-1
InChIKeySEAJGEJITBMQGI-UHFFFAOYSA-M
XLogP-0.31
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetate;tris(hydroxymethyl)-methylazanium
CID 15917937
copper bis(2-(3-chloro-2-methylanilino)benzoate)
CID 132532819
2-[2-(2-bromo-6-chloroanilino)phenyl]acetate
CID 71777020
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
CID 23689082
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
sodium;2-[2-(2,6-dichloroanilino)phenyl]acetate;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 68521742
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
bis[[2-(3-chloro-2-methylanilino)benzoyl]oxy]bismuthanyl 2-(3-chloro-2-methylanilino)benzoate
CID 140564358

Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate?
The IUPAC name of potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate (CID 163956747) is potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate.
What is the SMILES notation for potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate?
The canonical SMILES for potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate is Cc1c(Cl)cccc1Nc1ccccc1CC(=O)[O-].[K+].
What is the InChIKey of potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate?
The InChIKey is SEAJGEJITBMQGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14ClNO2.K/c1-10-12(16)6-4-8-13(10)17-14-7-3-2-5-11(14)9-15(18)19;/h2-8,17H,9H2,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate?
potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate has a molecular weight of 313.83 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate is sourced from PubChem (CID 163956747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).