1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea

C16H17F2N3O3 — CID 24528610

IUPAC1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea
SMILESCOc1cc(CCNC(=O)Nc2cccnc2)ccc1OC(F)F
InChIInChI=1S/C16H17F2N3O3/c1-23-14-9-11(4-5-13(14)24-15(17)18)6-8-20-16(22)21-12-3-2-7-19-10-12/h2-5,7,9-10,15H,6,8H2,1H3,(H2,20,21,22)
InChIKeyFXGIGRBKWGOUSQ-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.06
Rot. Bonds7

About 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea

1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea (PubChem CID 24528610) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea
PubChem CID24528610
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea
SMILESCOc1cc(CCNC(=O)Nc2cccnc2)ccc1OC(F)F
InChIInChI=1S/C16H17F2N3O3/c1-23-14-9-11(4-5-13(14)24-15(17)18)6-8-20-16(22)21-12-3-2-7-19-10-12/h2-5,7,9-10,15H,6,8H2,1H3,(H2,20,21,22)
InChIKeyFXGIGRBKWGOUSQ-UHFFFAOYSA-N
XLogP3.06
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-(3-methylphenyl)thiourea
CID 8600100
2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111214680
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-(3,5-dimethylphenyl)thiourea
CID 8600105
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
[2-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 9013918
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3,4-trimethoxybenzamide
CID 9482367

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea (CID 24528610) is 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea is COc1cc(CCNC(=O)Nc2cccnc2)ccc1OC(F)F.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea?
The InChIKey is FXGIGRBKWGOUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-23-14-9-11(4-5-13(14)24-15(17)18)6-8-20-16(22)21-12-3-2-7-19-10-12/h2-5,7,9-10,15H,6,8H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea?
1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea has a molecular weight of 337.33 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 24528610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).