3,5-bis(chloroamino)benzoic acid

C7H6Cl2N2O2 — CID 150801706

IUPAC3,5-bis(chloroamino)benzoic acid
SMILESO=C(O)c1cc(NCl)cc(NCl)c1
InChIInChI=1S/C7H6Cl2N2O2/c8-10-5-1-4(7(12)13)2-6(3-5)11-9/h1-3,10-11H,(H,12,13)
InChIKeyKFZRARPZDPDVLX-UHFFFAOYSA-N
MW221.04 g/mol
LogP2.52
Rot. Bonds3

About 3,5-bis(chloroamino)benzoic acid

3,5-bis(chloroamino)benzoic acid (PubChem CID 150801706) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 3,5-bis(chloroamino)benzoic acid.

Molecular Properties

Compound Name3,5-bis(chloroamino)benzoic acid
PubChem CID150801706
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name3,5-bis(chloroamino)benzoic acid
SMILESO=C(O)c1cc(NCl)cc(NCl)c1
InChIInChI=1S/C7H6Cl2N2O2/c8-10-5-1-4(7(12)13)2-6(3-5)11-9/h1-3,10-11H,(H,12,13)
InChIKeyKFZRARPZDPDVLX-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(chloroamino)benzoic acid?
The IUPAC name of 3,5-bis(chloroamino)benzoic acid (CID 150801706) is 3,5-bis(chloroamino)benzoic acid.
What is the SMILES notation for 3,5-bis(chloroamino)benzoic acid?
The canonical SMILES for 3,5-bis(chloroamino)benzoic acid is O=C(O)c1cc(NCl)cc(NCl)c1.
What is the InChIKey of 3,5-bis(chloroamino)benzoic acid?
The InChIKey is KFZRARPZDPDVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c8-10-5-1-4(7(12)13)2-6(3-5)11-9/h1-3,10-11H,(H,12,13).
What are the key properties of 3,5-bis(chloroamino)benzoic acid?
3,5-bis(chloroamino)benzoic acid has a molecular weight of 221.04 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(chloroamino)benzoic acid is sourced from PubChem (CID 150801706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).