1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea

C17H18F2N2O2 — CID 111452641

IUPAC1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESO=C(NCC(CCO)c1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)16(10-14)21-17(23)20-11-13(8-9-22)12-4-2-1-3-5-12/h1-7,10,13,22H,8-9,11H2,(H2,20,21,23)
InChIKeyFCFAHRYRTXVYCG-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.25
Rot. Bonds6

About 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea

1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea (PubChem CID 111452641) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
PubChem CID111452641
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
SMILESO=C(NCC(CCO)c1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)16(10-14)21-17(23)20-11-13(8-9-22)12-4-2-1-3-5-12/h1-7,10,13,22H,8-9,11H2,(H2,20,21,23)
InChIKeyFCFAHRYRTXVYCG-UHFFFAOYSA-N
XLogP3.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
1-(2-cyano-4-fluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111926804
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
CID 46647394
N-(2,5-difluorophenyl)-2,2-diphenylacetamide
CID 7770336
1-(4-hydroxy-2-phenylbutyl)-3-(2-methoxy-5-methylphenyl)urea
CID 111452697
1-(2,6-dimethylphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452788
[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
CID 69407368
1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
CID 111450045
N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide
CID 111456276
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453141
1-(3-chloro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453246
2-[2-[(2,5-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463026

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea (CID 111452641) is 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea is O=C(NCC(CCO)c1ccccc1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
The InChIKey is FCFAHRYRTXVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)16(10-14)21-17(23)20-11-13(8-9-22)12-4-2-1-3-5-12/h1-7,10,13,22H,8-9,11H2,(H2,20,21,23).
What are the key properties of 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea?
1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea has a molecular weight of 320.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea is sourced from PubChem (CID 111452641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).