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

C17H15F5N2O2 — CID 11624959

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1ccccc1C(F)(F)F)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F5N2O2/c18-15(19)26-13-7-5-12(6-8-13)24-16(25)23-10-9-11-3-1-2-4-14(11)17(20,21)22/h1-8,15H,9-10H2,(H2,23,24,25)
InChIKeySPLGECXMDNHGAX-UHFFFAOYSA-N
MW374.31 g/mol
LogP4.67
Rot. Bonds6

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

1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea (PubChem CID 11624959) has the molecular formula C17H15F5N2O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
PubChem CID11624959
Molecular FormulaC17H15F5N2O2
Molecular Weight374.31 g/mol
Exact Mass374.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
SMILESO=C(NCCc1ccccc1C(F)(F)F)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F5N2O2/c18-15(19)26-13-7-5-12(6-8-13)24-16(25)23-10-9-11-3-1-2-4-14(11)17(20,21)22/h1-8,15H,9-10H2,(H2,23,24,25)
InChIKeySPLGECXMDNHGAX-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 54.67
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-(difluoromethoxy)phenyl]ethyl]urea
CID 59649481
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
1-[4-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 5000103
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(2R)-2-methylsulfonyl-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 94477575
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55936282
1-[2-(2-bromophenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108900492
1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108899665

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea (CID 11624959) is 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea is O=C(NCCc1ccccc1C(F)(F)F)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
The InChIKey is SPLGECXMDNHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O2/c18-15(19)26-13-7-5-12(6-8-13)24-16(25)23-10-9-11-3-1-2-4-14(11)17(20,21)22/h1-8,15H,9-10H2,(H2,23,24,25).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea has a molecular weight of 374.31 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea is sourced from PubChem (CID 11624959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).