3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea

C15H16ClN3O2 — CID 111022328

IUPAC3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1ccccc1Cl)N(CCO)Cc1cccnc1
InChIInChI=1S/C15H16ClN3O2/c16-13-5-1-2-6-14(13)18-15(21)19(8-9-20)11-12-4-3-7-17-10-12/h1-7,10,20H,8-9,11H2,(H,18,21)
InChIKeyCSWKDFQUGCRKHH-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.76
Rot. Bonds5

About 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea

3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea (PubChem CID 111022328) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
PubChem CID111022328
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
SMILESO=C(Nc1ccccc1Cl)N(CCO)Cc1cccnc1
InChIInChI=1S/C15H16ClN3O2/c16-13-5-1-2-6-14(13)18-15(21)19(8-9-20)11-12-4-3-7-17-10-12/h1-7,10,20H,8-9,11H2,(H,18,21)
InChIKeyCSWKDFQUGCRKHH-UHFFFAOYSA-N
XLogP2.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 71974542
1-(2-hydroxyethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(pyridin-3-ylmethyl)urea
CID 56826368
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 60554553
3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 1437359
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924
1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
CID 111521290
3-(2-chlorophenyl)-1-[(3-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 17379399
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010345
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)urea
CID 2282452

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea (CID 111022328) is 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea is O=C(Nc1ccccc1Cl)N(CCO)Cc1cccnc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
The InChIKey is CSWKDFQUGCRKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-13-5-1-2-6-14(13)18-15(21)19(8-9-20)11-12-4-3-7-17-10-12/h1-7,10,20H,8-9,11H2,(H,18,21).
What are the key properties of 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea?
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea has a molecular weight of 305.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 111022328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).