potassium 4-[(4-bromobenzoyl)amino]benzoate

C14H9BrKNO3 — CID 144812194

IUPACpotassium 4-[(4-bromobenzoyl)amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2)cc1.[K+]
InChIInChI=1S/C14H10BrNO3.K/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyOXNHECASYXVCLN-UHFFFAOYSA-M
MW358.23 g/mol
LogP-0.93
Rot. Bonds3

About potassium 4-[(4-bromobenzoyl)amino]benzoate

potassium 4-[(4-bromobenzoyl)amino]benzoate (PubChem CID 144812194) has the molecular formula C14H9BrKNO3 and a molecular weight of 358.23 g/mol. Its IUPAC name is potassium 4-[(4-bromobenzoyl)amino]benzoate.

Molecular Properties

Compound Namepotassium 4-[(4-bromobenzoyl)amino]benzoate
PubChem CID144812194
Molecular FormulaC14H9BrKNO3
Molecular Weight358.23 g/mol
Exact Mass356.94
IUPAC Namepotassium 4-[(4-bromobenzoyl)amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2)cc1.[K+]
InChIInChI=1S/C14H10BrNO3.K/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q;+1/p-1
InChIKeyOXNHECASYXVCLN-UHFFFAOYSA-M
XLogP-0.93
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
trisodium;4-[[3,5-bis[(4-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate
CID 144812184
4-(phenylcarbamoyl)benzoate
CID 158012761
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
CID 21148482
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
4-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 6982972
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884

Frequently Asked Questions

What is the IUPAC name of potassium 4-[(4-bromobenzoyl)amino]benzoate?
The IUPAC name of potassium 4-[(4-bromobenzoyl)amino]benzoate (CID 144812194) is potassium 4-[(4-bromobenzoyl)amino]benzoate.
What is the SMILES notation for potassium 4-[(4-bromobenzoyl)amino]benzoate?
The canonical SMILES for potassium 4-[(4-bromobenzoyl)amino]benzoate is O=C([O-])c1ccc(NC(=O)c2ccc(Br)cc2)cc1.[K+].
What is the InChIKey of potassium 4-[(4-bromobenzoyl)amino]benzoate?
The InChIKey is OXNHECASYXVCLN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10BrNO3.K/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q;+1/p-1.
What are the key properties of potassium 4-[(4-bromobenzoyl)amino]benzoate?
potassium 4-[(4-bromobenzoyl)amino]benzoate has a molecular weight of 358.23 g/mol, XLogP of -0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[(4-bromobenzoyl)amino]benzoate is sourced from PubChem (CID 144812194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).