sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate

C13H8Cl2NNaO2 — CID 102504156

IUPACsodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].[Na+]
InChIInChI=1S/C13H9Cl2NO2.Na/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17;/h1-7,17H,(H,16,18);/q;+1/p-1
InChIKeyURXBCEPXPLXEDO-UHFFFAOYSA-M
MW304.11 g/mol
LogP0.32
Rot. Bonds2

About sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate

sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate (PubChem CID 102504156) has the molecular formula C13H8Cl2NNaO2 and a molecular weight of 304.11 g/mol. Its IUPAC name is sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate.

Molecular Properties

Compound Namesodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
PubChem CID102504156
Molecular FormulaC13H8Cl2NNaO2
Molecular Weight304.11 g/mol
Exact Mass302.98
IUPAC Namesodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].[Na+]
InChIInChI=1S/C13H9Cl2NO2.Na/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17;/h1-7,17H,(H,16,18);/q;+1/p-1
InChIKeyURXBCEPXPLXEDO-UHFFFAOYSA-M
XLogP0.32
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
bismuth tris(2-carboxy-4-chlorophenolate)
CID 54734267
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 163300797
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536

Frequently Asked Questions

What is the IUPAC name of sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate?
The IUPAC name of sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate (CID 102504156) is sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate.
What is the SMILES notation for sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate?
The canonical SMILES for sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate is O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[O-].[Na+].
What is the InChIKey of sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate?
The InChIKey is URXBCEPXPLXEDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9Cl2NO2.Na/c14-8-1-4-10(5-2-8)16-13(18)11-7-9(15)3-6-12(11)17;/h1-7,17H,(H,16,18);/q;+1/p-1.
What are the key properties of sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate?
sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate has a molecular weight of 304.11 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-chloro-2-[(4-chlorophenyl)carbamoyl]phenolate is sourced from PubChem (CID 102504156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).