1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea

C16H18ClN3O3 — CID 86995214

IUPAC1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)NCCOc2cccc(Cl)c2)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-22-15-9-12(5-6-18-15)11-20-16(21)19-7-8-23-14-4-2-3-13(17)10-14/h2-6,9-10H,7-8,11H2,1H3,(H2,19,20,21)
InChIKeySZVGLJBWHSSDRU-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.62
Rot. Bonds7

About 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea

1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea (PubChem CID 86995214) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
PubChem CID86995214
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
SMILESCOc1cc(CNC(=O)NCCOc2cccc(Cl)c2)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-22-15-9-12(5-6-18-15)11-20-16(21)19-7-8-23-14-4-2-3-13(17)10-14/h2-6,9-10H,7-8,11H2,1H3,(H2,19,20,21)
InChIKeySZVGLJBWHSSDRU-UHFFFAOYSA-N
XLogP2.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112970737
1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970763
2-[2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]ethoxy]acetic acid
CID 79463849
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
1-[2-(3-methoxyphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 38885483
1-benzyl-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 38885485
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62989177
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973017
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
1-[2-(3-tert-butylphenoxy)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 112972702

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea (CID 86995214) is 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea is COc1cc(CNC(=O)NCCOc2cccc(Cl)c2)ccn1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
The InChIKey is SZVGLJBWHSSDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-15-9-12(5-6-18-15)11-20-16(21)19-7-8-23-14-4-2-3-13(17)10-14/h2-6,9-10H,7-8,11H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea?
1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea has a molecular weight of 335.79 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 86995214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).