1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea

C11H13Cl2N3O2 — CID 114189607

IUPAC1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
SMILESO=C(NCC1(O)CNC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O2/c12-7-1-2-8(13)9(3-7)16-10(17)15-6-11(18)4-14-5-11/h1-3,14,18H,4-6H2,(H2,15,16,17)
InChIKeyKBYXSRDNKRUFTF-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.45
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea

1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea (PubChem CID 114189607) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
PubChem CID114189607
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea
SMILESO=C(NCC1(O)CNC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O2/c12-7-1-2-8(13)9(3-7)16-10(17)15-6-11(18)4-14-5-11/h1-3,14,18H,4-6H2,(H2,15,16,17)
InChIKeyKBYXSRDNKRUFTF-UHFFFAOYSA-N
XLogP1.45
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
1-(5-chloro-2-fluorophenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936278
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
1-(4-chloro-2-methylphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103409
1-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(2,4,5-trifluorophenyl)urea;hydrochloride
CID 154903222
2,5-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzenesulfonamide
CID 114189630
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
1-(2,5-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63624344
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-(2,5-dichlorophenyl)-3-(2-hydroxybutyl)urea
CID 113492767
1-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-naphthalen-1-ylurea
CID 124523480

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea (CID 114189607) is 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea is O=C(NCC1(O)CNC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea?
The InChIKey is KBYXSRDNKRUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c12-7-1-2-8(13)9(3-7)16-10(17)15-6-11(18)4-14-5-11/h1-3,14,18H,4-6H2,(H2,15,16,17).
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea?
1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea has a molecular weight of 290.15 g/mol, XLogP of 1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[(3-hydroxyazetidin-3-yl)methyl]urea is sourced from PubChem (CID 114189607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).