1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea

C17H18F2N2O3 — CID 111335624

IUPAC1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCOc1c(F)cc(NC(=O)NCC(C)(O)c2ccccc2)cc1F
InChIInChI=1S/C17H18F2N2O3/c1-17(23,11-6-4-3-5-7-11)10-20-16(22)21-12-8-13(18)15(24-2)14(19)9-12/h3-9,23H,10H2,1-2H3,(H2,20,21,22)
InChIKeyYLDMOCSLSVIUEY-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.00
Rot. Bonds5

About 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea

1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335624) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335624
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCOc1c(F)cc(NC(=O)NCC(C)(O)c2ccccc2)cc1F
InChIInChI=1S/C17H18F2N2O3/c1-17(23,11-6-4-3-5-7-11)10-20-16(22)21-12-8-13(18)15(24-2)14(19)9-12/h3-9,23H,10H2,1-2H3,(H2,20,21,22)
InChIKeyYLDMOCSLSVIUEY-UHFFFAOYSA-N
XLogP3.00
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335572
1-(2-hydroxy-2-phenylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 121112096
1-[4-(dimethylamino)phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335559
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
1-(2,3-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497664
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335646
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-hydroxyphenyl)urea
CID 99787005
1-(3,5-difluoro-4-methoxyphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754716
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335624) is 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea is COc1c(F)cc(NC(=O)NCC(C)(O)c2ccccc2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is YLDMOCSLSVIUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-17(23,11-6-4-3-5-7-11)10-20-16(22)21-12-8-13(18)15(24-2)14(19)9-12/h3-9,23H,10H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 336.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methoxyphenyl)-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).