2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid

C14H8Cl2FNO3 — CID 83078029

IUPAC2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H8Cl2FNO3/c15-10-5-7(17)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJRLGKARRHMKTPG-UHFFFAOYSA-N
MW328.13 g/mol
LogP4.08
Rot. Bonds3

About 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid

2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid (PubChem CID 83078029) has the molecular formula C14H8Cl2FNO3 and a molecular weight of 328.13 g/mol. Its IUPAC name is 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
PubChem CID83078029
Molecular FormulaC14H8Cl2FNO3
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC Name2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C14H8Cl2FNO3/c15-10-5-7(17)6-11(16)12(10)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyJRLGKARRHMKTPG-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
3-amino-2-chloro-N-(2,6-dichloro-4-fluorophenyl)benzamide
CID 115930651
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
2-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzamide
CID 107982593
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzamide
CID 107616854
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzamide
CID 107470673
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
3-amino-2-chloro-N-(2-chloro-4,6-difluorophenyl)benzamide
CID 115930652
3-chloro-2-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107046351

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid (CID 83078029) is 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid?
The InChIKey is JRLGKARRHMKTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNO3/c15-10-5-7(17)6-11(16)12(10)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-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid?
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid has a molecular weight of 328.13 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 83078029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).