copper bis(2-(3-chloro-2-methylanilino)benzoate)

C28H22Cl2CuN2O4 — CID 132532819

IUPACcopper bis(2-(3-chloro-2-methylanilino)benzoate)
SMILESCc1c(Cl)cccc1Nc1ccccc1C(=O)[O-].Cc1c(Cl)cccc1Nc1ccccc1C(=O)[O-].[Cu+2]
InChIInChI=1S/2C14H12ClNO2.Cu/c2*1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18;/h2*2-8,16H,1H3,(H,17,18);/q;;+2/p-2
InChIKeyYJDNEECFWOLDOF-UHFFFAOYSA-L
MW584.95 g/mol
LogP5.51
Rot. Bonds6

About copper bis(2-(3-chloro-2-methylanilino)benzoate)

copper bis(2-(3-chloro-2-methylanilino)benzoate) (PubChem CID 132532819) has the molecular formula C28H22Cl2CuN2O4 and a molecular weight of 584.95 g/mol. Its IUPAC name is copper bis(2-(3-chloro-2-methylanilino)benzoate).

Molecular Properties

Compound Namecopper bis(2-(3-chloro-2-methylanilino)benzoate)
PubChem CID132532819
Molecular FormulaC28H22Cl2CuN2O4
Molecular Weight584.95 g/mol
Exact Mass583.03
IUPAC Namecopper bis(2-(3-chloro-2-methylanilino)benzoate)
SMILESCc1c(Cl)cccc1Nc1ccccc1C(=O)[O-].Cc1c(Cl)cccc1Nc1ccccc1C(=O)[O-].[Cu+2]
InChIInChI=1S/2C14H12ClNO2.Cu/c2*1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18;/h2*2-8,16H,1H3,(H,17,18);/q;;+2/p-2
InChIKeyYJDNEECFWOLDOF-UHFFFAOYSA-L
XLogP5.51
TPSA104.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.95
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
bis[[2-(3-chloro-2-methylanilino)benzoyl]oxy]bismuthanyl 2-(3-chloro-2-methylanilino)benzoate
CID 140564358
2-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 29053926
potassium 2-[2-(3-chloro-2-methylanilino)phenyl]acetate
CID 163956747
3,3-dihydroxypropyl 2-(3-chloro-2-methylanilino)benzoate
CID 134498061
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;hydrate
CID 23663959
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;dihydrate
CID 23702523
2-(3-chloro-2-methylanilino)-N-[3-(diethylamino)propyl]benzamide
CID 163509812
[4-[[2-(3-chloro-2-methylanilino)benzoyl]amino]phenyl]methanesulfonic acid
CID 175349501
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 67783774
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725

Frequently Asked Questions

What is the IUPAC name of copper bis(2-(3-chloro-2-methylanilino)benzoate)?
The IUPAC name of copper bis(2-(3-chloro-2-methylanilino)benzoate) (CID 132532819) is copper bis(2-(3-chloro-2-methylanilino)benzoate).
What is the SMILES notation for copper bis(2-(3-chloro-2-methylanilino)benzoate)?
The canonical SMILES for copper bis(2-(3-chloro-2-methylanilino)benzoate) is Cc1c(Cl)cccc1Nc1ccccc1C(=O)[O-].Cc1c(Cl)cccc1Nc1ccccc1C(=O)[O-].[Cu+2].
What is the InChIKey of copper bis(2-(3-chloro-2-methylanilino)benzoate)?
The InChIKey is YJDNEECFWOLDOF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12ClNO2.Cu/c2*1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18;/h2*2-8,16H,1H3,(H,17,18);/q;;+2/p-2.
What are the key properties of copper bis(2-(3-chloro-2-methylanilino)benzoate)?
copper bis(2-(3-chloro-2-methylanilino)benzoate) has a molecular weight of 584.95 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-(3-chloro-2-methylanilino)benzoate) is sourced from PubChem (CID 132532819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).