1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea

C12H10Cl2N4O — CID 4193262

IUPAC1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10Cl2N4O/c13-8-3-1-4-9(7-8)15-12(19)18-17-11-6-2-5-10(14)16-11/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyJBCWBPURUUAZSK-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.54
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea

1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea (PubChem CID 4193262) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
PubChem CID4193262
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea
SMILESO=C(NNc1cccc(Cl)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C12H10Cl2N4O/c13-8-3-1-4-9(7-8)15-12(19)18-17-11-6-2-5-10(14)16-11/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyJBCWBPURUUAZSK-UHFFFAOYSA-N
XLogP3.54
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.54
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-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(3-chlorophenyl)urea
CID 75524670
1-[(6-chloro-2-pyridinyl)amino]-3-(4-fluorophenyl)urea
CID 901022
methyl N-(3-chlorophenyl)carbamate
CID 16529
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
1-(3-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]urea
CID 46672807
1-(3,5-dichloroanilino)-3-(2,6-dichloro-4-pyridinyl)urea
CID 2781839
1-(3-chlorophenyl)-3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)urea
CID 2323772
CID 168763640
CID 168763640
CID 73055968
CID 73055968
1-(3-chlorophenyl)-3-[(2-methylpropan-2-yl)oxy]urea
CID 115865549
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea (CID 4193262) is 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea is O=C(NNc1cccc(Cl)n1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
The InChIKey is JBCWBPURUUAZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c13-8-3-1-4-9(7-8)15-12(19)18-17-11-6-2-5-10(14)16-11/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea?
1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea has a molecular weight of 297.15 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(6-chloro-2-pyridinyl)amino]urea is sourced from PubChem (CID 4193262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).