2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid

C14H8BrF2NO3 — CID 65470052

IUPAC2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H8BrF2NO3/c15-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJVCGYSRFFVYUHE-UHFFFAOYSA-N
MW356.12 g/mol
LogP3.68
Rot. Bonds3

About 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid

2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid (PubChem CID 65470052) has the molecular formula C14H8BrF2NO3 and a molecular weight of 356.12 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
PubChem CID65470052
Molecular FormulaC14H8BrF2NO3
Molecular Weight356.12 g/mol
Exact Mass354.97
IUPAC Name2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H8BrF2NO3/c15-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJVCGYSRFFVYUHE-UHFFFAOYSA-N
XLogP3.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.12
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzamide
CID 65470097
N-(4-bromo-2,6-difluorophenyl)-2,3-difluorobenzamide
CID 65469148
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
N-(4-bromo-2,6-difluorophenyl)-2,3,4-trifluorobenzamide
CID 79754685
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid (CID 65470052) is 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid?
The InChIKey is JVCGYSRFFVYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2NO3/c15-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid?
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid has a molecular weight of 356.12 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 65470052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).