1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

C16H17Cl2N3O2 — CID 55808925

IUPAC1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C16H17Cl2N3O2/c1-10(2)23-15-6-3-11(8-19-15)9-20-16(22)21-14-7-12(17)4-5-13(14)18/h3-8,10H,9H2,1-2H3,(H2,20,21,22)
InChIKeyQCKBBOGODQOKKX-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.50
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea

1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (PubChem CID 55808925) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
PubChem CID55808925
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
SMILESCC(C)Oc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C16H17Cl2N3O2/c1-10(2)23-15-6-3-11(8-19-15)9-20-16(22)21-14-7-12(17)4-5-13(14)18/h3-8,10H,9H2,1-2H3,(H2,20,21,22)
InChIKeyQCKBBOGODQOKKX-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
2,3,5-trichloro-6-hydroxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 112842813
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111131445
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
1-(2,5-dichlorophenyl)-3-(3-methyl-2-oxobutyl)urea
CID 64993936
1-(2,5-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916204
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 51953041
1-(4-chlorophenyl)-5-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 78881949
1-(2,5-dichlorophenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108992164
(2S)-N-(2,5-dichlorophenyl)-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 25343912
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55744571

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea (CID 55808925) is 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is CC(C)Oc1ccc(CNC(=O)Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
The InChIKey is QCKBBOGODQOKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-10(2)23-15-6-3-11(8-19-15)9-20-16(22)21-14-7-12(17)4-5-13(14)18/h3-8,10H,9H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea?
1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea has a molecular weight of 354.24 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55808925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).