1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea

C15H16ClN3O2 — CID 18101732

IUPAC1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C15H16ClN3O2/c1-19(15(20)18-13-3-2-8-17-11-13)9-10-21-14-6-4-12(16)5-7-14/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyCHGRLHPPWDLBRR-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea

1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea (PubChem CID 18101732) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
PubChem CID18101732
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C15H16ClN3O2/c1-19(15(20)18-13-3-2-8-17-11-13)9-10-21-14-6-4-12(16)5-7-14/h2-8,11H,9-10H2,1H3,(H,18,20)
InChIKeyCHGRLHPPWDLBRR-UHFFFAOYSA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
1-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17393832
N-[2-(4-methoxyphenoxy)ethyl]-N'-pyridin-3-yloxamide
CID 108526026
3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea
CID 52593166
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-pyridin-3-ylacetamide
CID 17380536
N-[3-[2-(4-fluorophenoxy)ethyl-methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633796
1-methyl-1-(2-phenoxyethyl)-3-(4-propylphenyl)urea
CID 112825014

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea (CID 18101732) is 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea is CN(CCOc1ccc(Cl)cc1)C(=O)Nc1cccnc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea?
The InChIKey is CHGRLHPPWDLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(15(20)18-13-3-2-8-17-11-13)9-10-21-14-6-4-12(16)5-7-14/h2-8,11H,9-10H2,1H3,(H,18,20).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea?
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea has a molecular weight of 305.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea is sourced from PubChem (CID 18101732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).