4-carbamoyl-3,5-dichlorobenzoic acid

C8H5Cl2NO3 — CID 71377058

IUPAC4-carbamoyl-3,5-dichlorobenzoic acid
SMILESNC(=O)c1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C8H5Cl2NO3/c9-4-1-3(8(13)14)2-5(10)6(4)7(11)12/h1-2H,(H2,11,12)(H,13,14)
InChIKeyPSMMBZCWIJNJBM-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.79
Rot. Bonds2

About 4-carbamoyl-3,5-dichlorobenzoic acid

4-carbamoyl-3,5-dichlorobenzoic acid (PubChem CID 71377058) has the molecular formula C8H5Cl2NO3 and a molecular weight of 234.04 g/mol. Its IUPAC name is 4-carbamoyl-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name4-carbamoyl-3,5-dichlorobenzoic acid
PubChem CID71377058
Molecular FormulaC8H5Cl2NO3
Molecular Weight234.04 g/mol
Exact Mass232.96
IUPAC Name4-carbamoyl-3,5-dichlorobenzoic acid
SMILESNC(=O)c1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C8H5Cl2NO3/c9-4-1-3(8(13)14)2-5(10)6(4)7(11)12/h1-2H,(H2,11,12)(H,13,14)
InChIKeyPSMMBZCWIJNJBM-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 4-carbamoyl-3,5-dichlorobenzoic acid?
The IUPAC name of 4-carbamoyl-3,5-dichlorobenzoic acid (CID 71377058) is 4-carbamoyl-3,5-dichlorobenzoic acid.
What is the SMILES notation for 4-carbamoyl-3,5-dichlorobenzoic acid?
The canonical SMILES for 4-carbamoyl-3,5-dichlorobenzoic acid is NC(=O)c1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 4-carbamoyl-3,5-dichlorobenzoic acid?
The InChIKey is PSMMBZCWIJNJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO3/c9-4-1-3(8(13)14)2-5(10)6(4)7(11)12/h1-2H,(H2,11,12)(H,13,14).
What are the key properties of 4-carbamoyl-3,5-dichlorobenzoic acid?
4-carbamoyl-3,5-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 4-carbamoyl-3,5-dichlorobenzoic acid is sourced from PubChem (CID 71377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).