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

C17H18F2N2O2 — CID 111450259

IUPAC1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-13-8-9-16(14(19)11-13)21-17(23)20-15(7-4-10-22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,22H,4,7,10H2,(H2,20,21,23)
InChIKeyIRKVRZAGQWNCCK-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.60
Rot. Bonds6

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

1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111450259) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111450259
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1ccc(F)cc1F)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-13-8-9-16(14(19)11-13)21-17(23)20-15(7-4-10-22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,22H,4,7,10H2,(H2,20,21,23)
InChIKeyIRKVRZAGQWNCCK-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
1-(2,4-difluorophenyl)-3-(4-hydroxybutan-2-yl)urea
CID 78998254
1-(4-fluoro-2-prop-2-ynoxyphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111475245
1-(2-fluorophenyl)-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103765021
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453817
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111450259) is 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is O=C(Nc1ccc(F)cc1F)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is IRKVRZAGQWNCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-13-8-9-16(14(19)11-13)21-17(23)20-15(7-4-10-22)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,15,22H,4,7,10H2,(H2,20,21,23).
What are the key properties of 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 320.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111450259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).