3-carbamoyl-2,4,6-trichlorobenzoic acid

C8H4Cl3NO3 — CID 19848349

IUPAC3-carbamoyl-2,4,6-trichlorobenzoic acid
SMILESNC(=O)c1c(Cl)cc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C8H4Cl3NO3/c9-2-1-3(10)5(8(14)15)6(11)4(2)7(12)13/h1H,(H2,12,13)(H,14,15)
InChIKeyCVLQXZRASAYAPW-UHFFFAOYSA-N
MW268.48 g/mol
LogP2.44
Rot. Bonds2

About 3-carbamoyl-2,4,6-trichlorobenzoic acid

3-carbamoyl-2,4,6-trichlorobenzoic acid (PubChem CID 19848349) has the molecular formula C8H4Cl3NO3 and a molecular weight of 268.48 g/mol. Its IUPAC name is 3-carbamoyl-2,4,6-trichlorobenzoic acid.

Molecular Properties

Compound Name3-carbamoyl-2,4,6-trichlorobenzoic acid
PubChem CID19848349
Molecular FormulaC8H4Cl3NO3
Molecular Weight268.48 g/mol
Exact Mass266.93
IUPAC Name3-carbamoyl-2,4,6-trichlorobenzoic acid
SMILESNC(=O)c1c(Cl)cc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C8H4Cl3NO3/c9-2-1-3(10)5(8(14)15)6(11)4(2)7(12)13/h1H,(H2,12,13)(H,14,15)
InChIKeyCVLQXZRASAYAPW-UHFFFAOYSA-N
XLogP2.44
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyl-2,4,6-trichlorobenzoic acid?
The IUPAC name of 3-carbamoyl-2,4,6-trichlorobenzoic acid (CID 19848349) is 3-carbamoyl-2,4,6-trichlorobenzoic acid.
What is the SMILES notation for 3-carbamoyl-2,4,6-trichlorobenzoic acid?
The canonical SMILES for 3-carbamoyl-2,4,6-trichlorobenzoic acid is NC(=O)c1c(Cl)cc(Cl)c(C(=O)O)c1Cl.
What is the InChIKey of 3-carbamoyl-2,4,6-trichlorobenzoic acid?
The InChIKey is CVLQXZRASAYAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl3NO3/c9-2-1-3(10)5(8(14)15)6(11)4(2)7(12)13/h1H,(H2,12,13)(H,14,15).
What are the key properties of 3-carbamoyl-2,4,6-trichlorobenzoic acid?
3-carbamoyl-2,4,6-trichlorobenzoic acid has a molecular weight of 268.48 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyl-2,4,6-trichlorobenzoic acid is sourced from PubChem (CID 19848349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).