1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

C17H18F2N2O3 — CID 111458080

IUPAC1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cc(F)ccc1F)NCc1ccccc1OCCO
InChIInChI=1S/C17H18F2N2O3/c18-14-5-6-15(19)13(9-14)11-21-17(23)20-10-12-3-1-2-4-16(12)24-8-7-22/h1-6,9,22H,7-8,10-11H2,(H2,20,21,23)
InChIKeyPOCBFHABTGIMPT-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.34
Rot. Bonds7

About 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (PubChem CID 111458080) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
PubChem CID111458080
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESO=C(NCc1cc(F)ccc1F)NCc1ccccc1OCCO
InChIInChI=1S/C17H18F2N2O3/c18-14-5-6-15(19)13(9-14)11-21-17(23)20-10-12-3-1-2-4-16(12)24-8-7-22/h1-6,9,22H,7-8,10-11H2,(H2,20,21,23)
InChIKeyPOCBFHABTGIMPT-UHFFFAOYSA-N
XLogP2.34
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457941
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457961
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
N-[(2-ethoxyphenyl)methyl]-2,5-difluorobenzamide
CID 71822129
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (CID 111458080) is 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is O=C(NCc1cc(F)ccc1F)NCc1ccccc1OCCO.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The InChIKey is POCBFHABTGIMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c18-14-5-6-15(19)13(9-14)11-21-17(23)20-10-12-3-1-2-4-16(12)24-8-7-22/h1-6,9,22H,7-8,10-11H2,(H2,20,21,23).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea has a molecular weight of 336.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111458080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).