1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea

C16H15F3N2O2 — CID 46486374

IUPAC1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O2/c17-12-3-5-13(6-4-12)21-16(22)20-10-9-11-1-7-14(8-2-11)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22)
InChIKeyHULKHPMKMDWVJM-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.79
Rot. Bonds6

About 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea

1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea (PubChem CID 46486374) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
PubChem CID46486374
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
SMILESO=C(NCCc1ccc(OC(F)F)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H15F3N2O2/c17-12-3-5-13(6-4-12)21-16(22)20-10-9-11-1-7-14(8-2-11)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22)
InChIKeyHULKHPMKMDWVJM-UHFFFAOYSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
CID 59649481
1-[2-(4-fluorophenyl)ethyl]-3-(4-iodophenyl)urea
CID 47154313
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 11624959
1-[4-(difluoromethoxy)phenyl]-3-[(4-fluorophenyl)methyl]thiourea
CID 2449597
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
2-(4-acetamidophenyl)sulfanyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 26599961
cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8906875

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea (CID 46486374) is 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea is O=C(NCCc1ccc(OC(F)F)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea?
The InChIKey is HULKHPMKMDWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-12-3-5-13(6-4-12)21-16(22)20-10-9-11-1-7-14(8-2-11)23-15(18)19/h1-8,15H,9-10H2,(H2,20,21,22).
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea?
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea has a molecular weight of 324.30 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 46486374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).