2-carbamoyl-3,4-dichlorobenzoic acid

C8H5Cl2NO3 — CID 68728878

IUPAC2-carbamoyl-3,4-dichlorobenzoic acid
SMILESNC(=O)c1c(C(=O)O)ccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2NO3/c9-4-2-1-3(8(13)14)5(6(4)10)7(11)12/h1-2H,(H2,11,12)(H,13,14)
InChIKeyUMXCUFILGFZYJG-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.79
Rot. Bonds2

About 2-carbamoyl-3,4-dichlorobenzoic acid

2-carbamoyl-3,4-dichlorobenzoic acid (PubChem CID 68728878) has the molecular formula C8H5Cl2NO3 and a molecular weight of 234.04 g/mol. Its IUPAC name is 2-carbamoyl-3,4-dichlorobenzoic acid.

Molecular Properties

Compound Name2-carbamoyl-3,4-dichlorobenzoic acid
PubChem CID68728878
Molecular FormulaC8H5Cl2NO3
Molecular Weight234.04 g/mol
Exact Mass232.96
IUPAC Name2-carbamoyl-3,4-dichlorobenzoic acid
SMILESNC(=O)c1c(C(=O)O)ccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2NO3/c9-4-2-1-3(8(13)14)5(6(4)10)7(11)12/h1-2H,(H2,11,12)(H,13,14)
InChIKeyUMXCUFILGFZYJG-UHFFFAOYSA-N
XLogP1.79
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3,4-dichlorobenzoic acid?
The IUPAC name of 2-carbamoyl-3,4-dichlorobenzoic acid (CID 68728878) is 2-carbamoyl-3,4-dichlorobenzoic acid.
What is the SMILES notation for 2-carbamoyl-3,4-dichlorobenzoic acid?
The canonical SMILES for 2-carbamoyl-3,4-dichlorobenzoic acid is NC(=O)c1c(C(=O)O)ccc(Cl)c1Cl.
What is the InChIKey of 2-carbamoyl-3,4-dichlorobenzoic acid?
The InChIKey is UMXCUFILGFZYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO3/c9-4-2-1-3(8(13)14)5(6(4)10)7(11)12/h1-2H,(H2,11,12)(H,13,14).
What are the key properties of 2-carbamoyl-3,4-dichlorobenzoic acid?
2-carbamoyl-3,4-dichlorobenzoic acid has a molecular weight of 234.04 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3,4-dichlorobenzoic acid is sourced from PubChem (CID 68728878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).