1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea

C17H19ClFN3O3 — CID 168928664

IUPAC1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2cc(Cl)nc(OCCO)c2)c(C)cc1F
InChIInChI=1S/C17H19ClFN3O3/c1-3-20-17(24)21-14-9-12(10(2)6-13(14)19)11-7-15(18)22-16(8-11)25-5-4-23/h6-9,23H,3-5H2,1-2H3,(H2,20,21,24)
InChIKeyTWYMOVZEKKRYBE-UHFFFAOYSA-N
MW367.81 g/mol
LogP3.36
Rot. Bonds6

About 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea

1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea (PubChem CID 168928664) has the molecular formula C17H19ClFN3O3 and a molecular weight of 367.81 g/mol. Its IUPAC name is 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea
PubChem CID168928664
Molecular FormulaC17H19ClFN3O3
Molecular Weight367.81 g/mol
Exact Mass367.11
IUPAC Name1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cc(-c2cc(Cl)nc(OCCO)c2)c(C)cc1F
InChIInChI=1S/C17H19ClFN3O3/c1-3-20-17(24)21-14-9-12(10(2)6-13(14)19)11-7-15(18)22-16(8-11)25-5-4-23/h6-9,23H,3-5H2,1-2H3,(H2,20,21,24)
InChIKeyTWYMOVZEKKRYBE-UHFFFAOYSA-N
XLogP3.36
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[5-(ethylcarbamoylamino)-4-fluoro-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide
CID 168928337
1-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-[3-(trifluoromethyl)cyclopentyl]urea
CID 155160638
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-azaspiro[3.5]nonane-6-carboxamide
CID 155160592
1-[2-fluoro-5-[3-(2-hydroxyethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylphenyl]-3-[2-(1-methylcyclopropyl)ethyl]urea
CID 170516554
(3E)-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethylidene)pyrrolidine-1-carboxamide
CID 155160609
3,3,4,4-tetrafluoro-N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 155160622
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxamide
CID 155160630
2-[[4-[4-fluoro-2-methyl-5-(2-oxaspiro[3.3]heptan-6-ylamino)phenyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2-pyridinyl]oxy]ethanol
CID 168928610
2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
CID 168928786
1-[2-fluoro-4-methyl-5-[7-methyl-2-[2-(2-prop-2-ynoxyethoxy)ethylamino]pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-hexylurea
CID 135390058
1-[2-fluoro-4-methyl-5-[2-methyl-7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-3-(2-methoxyethyl)urea
CID 118014445
1-(2-fluoro-5-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020612

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea?
The IUPAC name of 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea (CID 168928664) is 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea.
What is the SMILES notation for 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea?
The canonical SMILES for 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea is CCNC(=O)Nc1cc(-c2cc(Cl)nc(OCCO)c2)c(C)cc1F.
What is the InChIKey of 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea?
The InChIKey is TWYMOVZEKKRYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O3/c1-3-20-17(24)21-14-9-12(10(2)6-13(14)19)11-7-15(18)22-16(8-11)25-5-4-23/h6-9,23H,3-5H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea?
1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea has a molecular weight of 367.81 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-chloro-6-(2-hydroxyethoxy)-4-pyridinyl]-2-fluoro-4-methylphenyl]-3-ethylurea is sourced from PubChem (CID 168928664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).