1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea

C12H8Cl4N4O — CID 2781839

IUPAC1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea
SMILESO=C(NNc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H8Cl4N4O/c13-6-1-7(14)3-9(2-6)19-20-12(21)17-8-4-10(15)18-11(16)5-8/h1-5,19H,(H2,17,18,20,21)
InChIKeyPTURZCZJZUKOJJ-UHFFFAOYSA-N
MW366.04 g/mol
LogP4.84
Rot. Bonds3

About 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea

1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea (PubChem CID 2781839) has the molecular formula C12H8Cl4N4O and a molecular weight of 366.04 g/mol. Its IUPAC name is 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea
PubChem CID2781839
Molecular FormulaC12H8Cl4N4O
Molecular Weight366.04 g/mol
Exact Mass363.95
IUPAC Name1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea
SMILESO=C(NNc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H8Cl4N4O/c13-6-1-7(14)3-9(2-6)19-20-12(21)17-8-4-10(15)18-11(16)5-8/h1-5,19H,(H2,17,18,20,21)
InChIKeyPTURZCZJZUKOJJ-UHFFFAOYSA-N
XLogP4.84
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.04
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-5-(trifluoromethoxy)phenyl]-3-(2,6-dichloro-4-pyridinyl)urea
CID 175721929
1-(2,6-dichloro-4-pyridinyl)-3-prop-2-enylurea
CID 3866775
1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
CID 4193262
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea
CID 75524670
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(2,6-dichloro-4-pyridinyl)-3-(2,2-dimethylpropyl)urea
CID 3334916
1-cyano-3-(3,5-dichlorophenyl)urea
CID 107654843
N-[(3,5-dichlorophenyl)carbamoyl]sulfamoyl chloride
CID 151962445
1-(3,5-dichlorophenyl)-3-(4-hydroxybutyl)urea
CID 107143334
N-[(3,5-dichlorophenyl)carbamoyl]prop-2-enamide
CID 95564009
1-anilino-3-(4-chlorophenyl)urea
CID 4167003

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea?
The IUPAC name of 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea (CID 2781839) is 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea.
What is the SMILES notation for 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea?
The canonical SMILES for 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea is O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea?
The InChIKey is PTURZCZJZUKOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N4O/c13-6-1-7(14)3-9(2-6)19-20-12(21)17-8-4-10(15)18-11(16)5-8/h1-5,19H,(H2,17,18,20,21).
What are the key properties of 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea?
1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea has a molecular weight of 366.04 g/mol, XLogP of 4.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea is sourced from PubChem (CID 2781839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).