4-[(3-bromobenzoyl)amino]benzoate

C14H9BrNO3- — CID 6943789

IUPAC4-[(3-bromobenzoyl)amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H10BrNO3/c15-11-3-1-2-10(8-11)13(17)16-12-6-4-9(5-7-12)14(18)19/h1-8H,(H,16,17)(H,18,19)/p-1
InChIKeyNDPSYYITQRRGHS-UHFFFAOYSA-M
MW319.13 g/mol
LogP2.06
Rot. Bonds3

About 4-[(3-bromobenzoyl)amino]benzoate

4-[(3-bromobenzoyl)amino]benzoate (PubChem CID 6943789) has the molecular formula C14H9BrNO3- and a molecular weight of 319.13 g/mol. Its IUPAC name is 4-[(3-bromobenzoyl)amino]benzoate.

Molecular Properties

Compound Name4-[(3-bromobenzoyl)amino]benzoate
PubChem CID6943789
Molecular FormulaC14H9BrNO3-
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name4-[(3-bromobenzoyl)amino]benzoate
SMILESO=C([O-])c1ccc(NC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C14H10BrNO3/c15-11-3-1-2-10(8-11)13(17)16-12-6-4-9(5-7-12)14(18)19/h1-8H,(H,16,17)(H,18,19)/p-1
InChIKeyNDPSYYITQRRGHS-UHFFFAOYSA-M
XLogP2.06
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-[4-[(4-nitrobenzoyl)amino]phenyl]benzamide
CID 3455243
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64794650
3-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]benzamide
CID 5233749
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
trisodium;4-[[3,5-bis[(4-carboxylatophenyl)carbamoyl]benzoyl]amino]benzoate
CID 144812184
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
(E)-3-[4-[(3-bromobenzoyl)amino]phenyl]prop-2-enoic acid
CID 43411616
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromobenzoyl)amino]benzoate?
The IUPAC name of 4-[(3-bromobenzoyl)amino]benzoate (CID 6943789) is 4-[(3-bromobenzoyl)amino]benzoate.
What is the SMILES notation for 4-[(3-bromobenzoyl)amino]benzoate?
The canonical SMILES for 4-[(3-bromobenzoyl)amino]benzoate is O=C([O-])c1ccc(NC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromobenzoyl)amino]benzoate?
The InChIKey is NDPSYYITQRRGHS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10BrNO3/c15-11-3-1-2-10(8-11)13(17)16-12-6-4-9(5-7-12)14(18)19/h1-8H,(H,16,17)(H,18,19)/p-1.
What are the key properties of 4-[(3-bromobenzoyl)amino]benzoate?
4-[(3-bromobenzoyl)amino]benzoate has a molecular weight of 319.13 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromobenzoyl)amino]benzoate is sourced from PubChem (CID 6943789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).