1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea

C14H13ClFN3O — CID 108900168

IUPAC1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClFN3O/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20)
InChIKeyVQMRVBOLVQGNGW-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.24
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea

1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 108900168) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID108900168
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccccc1F)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClFN3O/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20)
InChIKeyVQMRVBOLVQGNGW-UHFFFAOYSA-N
XLogP3.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-(5-methyl-2-pyridinyl)urea
CID 108900165
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
1-(5-chloro-2-pyridinyl)-3-(2-fluorophenyl)urea
CID 901016
2-(4-chlorophenyl)-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]acetamide
CID 113028195
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
1-[(2-bromophenyl)methyl]-3-(5-chloro-2-pyridinyl)urea
CID 108898055
1-[2-(2-fluorophenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812055
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea (CID 108900168) is 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea is O=C(NCCc1ccccc1F)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is VQMRVBOLVQGNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea?
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 293.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108900168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).