1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane

C23H34FN3O3 — CID 167456640

IUPAC1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane
SMILESCCCCC.COc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OCCF)n1
InChIInChI=1S/C18H22FN3O3.C5H12/c1-12(2)13-6-4-5-7-14(13)20-18(23)21-15-8-9-16(24-3)22-17(15)25-11-10-19;1-3-5-4-2/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23);3-5H2,1-2H3
InChIKeySFJOELKIQMFADK-UHFFFAOYSA-N
MW419.54 g/mol
LogP6.40
Rot. Bonds9

About 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane

1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane (PubChem CID 167456640) has the molecular formula C23H34FN3O3 and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane
PubChem CID167456640
Molecular FormulaC23H34FN3O3
Molecular Weight419.54 g/mol
Exact Mass419.26
IUPAC Name1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane
SMILESCCCCC.COc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OCCF)n1
InChIInChI=1S/C18H22FN3O3.C5H12/c1-12(2)13-6-4-5-7-14(13)20-18(23)21-15-8-9-16(24-3)22-17(15)25-11-10-19;1-3-5-4-2/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23);3-5H2,1-2H3
InChIKeySFJOELKIQMFADK-UHFFFAOYSA-N
XLogP6.40
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.54
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260
1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
CID 167456812
cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457259
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
2-hexoxy-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094055
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
N-(2-butoxyphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 54823404
2-(2-butoxyethoxy)-N-(2,6-dimethoxy-3-pyridinyl)acetamide
CID 5224256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane?
The IUPAC name of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane (CID 167456640) is 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane?
The canonical SMILES for 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane is CCCCC.COc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OCCF)n1.
What is the InChIKey of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane?
The InChIKey is SFJOELKIQMFADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3.C5H12/c1-12(2)13-6-4-5-7-14(13)20-18(23)21-15-8-9-16(24-3)22-17(15)25-11-10-19;1-3-5-4-2/h4-9,12H,10-11H2,1-3H3,(H2,20,21,23);3-5H2,1-2H3.
What are the key properties of 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane?
1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane has a molecular weight of 419.54 g/mol, XLogP of 6.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane is sourced from PubChem (CID 167456640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).