1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea

C15H16ClN3O2 — CID 108883302

IUPAC1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
SMILESO=C(NCCCOc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H16ClN3O2/c16-12-7-8-14(18-11-12)19-15(20)17-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,17,18,19,20)
InChIKeyZOHOKXAOTWGVDF-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.33
Rot. Bonds6

About 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea

1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea (PubChem CID 108883302) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
PubChem CID108883302
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
SMILESO=C(NCCCOc1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H16ClN3O2/c16-12-7-8-14(18-11-12)19-15(20)17-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,17,18,19,20)
InChIKeyZOHOKXAOTWGVDF-UHFFFAOYSA-N
XLogP3.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108884029
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
CID 108898055
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941
1-[5-chloro-2-[3-[(2-cyanophenyl)carbamoylamino]propoxy]phenyl]-3-(5-cyano-2-pyridinyl)urea
CID 91023777
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea (CID 108883302) is 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea is O=C(NCCCOc1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea?
The InChIKey is ZOHOKXAOTWGVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-7-8-14(18-11-12)19-15(20)17-9-4-10-21-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,17,18,19,20).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea?
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea has a molecular weight of 305.77 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea is sourced from PubChem (CID 108883302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).