(2,6-dichloroanilino)urea

C7H7Cl2N3O — CID 19692654

IUPAC(2,6-dichloroanilino)urea
SMILESNC(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C7H7Cl2N3O/c8-4-2-1-3-5(9)6(4)11-12-7(10)13/h1-3,11H,(H3,10,12,13)
InChIKeyKEYBMFHTNBKPRG-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.99
Rot. Bonds2

About (2,6-dichloroanilino)urea

(2,6-dichloroanilino)urea (PubChem CID 19692654) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is (2,6-dichloroanilino)urea.

Molecular Properties

Compound Name(2,6-dichloroanilino)urea
PubChem CID19692654
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name(2,6-dichloroanilino)urea
SMILESNC(=O)NNc1c(Cl)cccc1Cl
InChIInChI=1S/C7H7Cl2N3O/c8-4-2-1-3-5(9)6(4)11-12-7(10)13/h1-3,11H,(H3,10,12,13)
InChIKeyKEYBMFHTNBKPRG-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichloroanilino)urea?
The IUPAC name of (2,6-dichloroanilino)urea (CID 19692654) is (2,6-dichloroanilino)urea.
What is the SMILES notation for (2,6-dichloroanilino)urea?
The canonical SMILES for (2,6-dichloroanilino)urea is NC(=O)NNc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichloroanilino)urea?
The InChIKey is KEYBMFHTNBKPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c8-4-2-1-3-5(9)6(4)11-12-7(10)13/h1-3,11H,(H3,10,12,13).
What are the key properties of (2,6-dichloroanilino)urea?
(2,6-dichloroanilino)urea has a molecular weight of 220.06 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloroanilino)urea is sourced from PubChem (CID 19692654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).