1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea

C18H20F2N2O2 — CID 56795055

IUPAC1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1cccc(C(F)F)c1)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-17(20)14-8-4-9-15(12-14)21-18(24)22-16(10-5-11-23)13-6-2-1-3-7-13/h1-4,6-9,12,16-17,23H,5,10-11H2,(H2,21,22,24)
InChIKeyJWRZWMQCOWGZQI-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.26
Rot. Bonds7

About 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea

1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 56795055) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID56795055
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1cccc(C(F)F)c1)NC(CCCO)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c19-17(20)14-8-4-9-15(12-14)21-18(24)22-16(10-5-11-23)13-6-2-1-3-7-13/h1-4,6-9,12,16-17,23H,5,10-11H2,(H2,21,22,24)
InChIKeyJWRZWMQCOWGZQI-UHFFFAOYSA-N
XLogP4.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea
CID 294966
Urea, N-(2-chloroethyl)-N'-[3-(5-hydroxypentyl)phenyl]-
CID 11616185
N-(2-Chloroethyl)-N'-[3-(6-hydroxyhexyl)phenyl]urea
CID 45268968
N-(2-Chloroethyl)-N'-[3-(4-hydroxybutyl)phenyl]urea
CID 45272381
1-[2-Fluoro-3-(trifluoromethyl)phenyl]-3-(1-methyl-3-phenyl-propyl)urea
CID 56676339
1-Benzyl-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 4586304
N-(trans-4-hydroxycyclohexyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 60765046
Urea, 1-(alpha-(hydroxymethyl)phenethyl)-3-phenyl-
CID 208999
1-(2-Hydroxy-2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812620
1-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 45504507
1-(1-Hydroxypropan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 45820662
1-(2-Fluorophenyl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 45881637

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea (CID 56795055) is 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea is O=C(Nc1cccc(C(F)F)c1)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is JWRZWMQCOWGZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-17(20)14-8-4-9-15(12-14)21-18(24)22-16(10-5-11-23)13-6-2-1-3-7-13/h1-4,6-9,12,16-17,23H,5,10-11H2,(H2,21,22,24).
What are the key properties of 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea?
1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 334.37 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 56795055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).