1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea

C14H13ClFN3O2 — CID 48788201

IUPAC1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClFN3O2/c1-2-21-12-8-9(16)5-6-10(12)18-14(20)19-11-4-3-7-17-13(11)15/h3-8H,2H2,1H3,(H2,18,19,20)
InChIKeyMBZZDTFNNRPEHC-UHFFFAOYSA-N
MW309.73 g/mol
LogP3.92
Rot. Bonds4

About 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea

1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea (PubChem CID 48788201) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea
PubChem CID48788201
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Name1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea
SMILESCCOc1cc(F)ccc1NC(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClFN3O2/c1-2-21-12-8-9(16)5-6-10(12)18-14(20)19-11-4-3-7-17-13(11)15/h3-8H,2H2,1H3,(H2,18,19,20)
InChIKeyMBZZDTFNNRPEHC-UHFFFAOYSA-N
XLogP3.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
2-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61046258
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
2-amino-N-(2-ethoxy-4-fluorophenyl)propanamide;hydrochloride
CID 119286702
N-(2-ethoxy-4-fluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61294013
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
N-(2-ethoxy-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604524
1-(2-ethoxy-4-fluorophenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754658
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
5-bromo-2-chloro-N-(2-ethoxy-4-fluorophenyl)benzamide
CID 60794303

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea (CID 48788201) is 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea is CCOc1cc(F)ccc1NC(=O)Nc1cccnc1Cl.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea?
The InChIKey is MBZZDTFNNRPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-2-21-12-8-9(16)5-6-10(12)18-14(20)19-11-4-3-7-17-13(11)15/h3-8H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea?
1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea has a molecular weight of 309.73 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-3-(2-ethoxy-4-fluorophenyl)urea is sourced from PubChem (CID 48788201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).