1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea

C17H18F2N2O3 — CID 111102262

IUPAC1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(O)CNC(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-24-14-5-2-11(3-6-14)16(22)10-21-17(23)20-9-12-8-13(18)4-7-15(12)19/h2-8,16,22H,9-10H2,1H3,(H2,20,21,23)
InChIKeyZXZQSLZAQVVFJZ-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.51
Rot. Bonds6

About 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea

1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea (PubChem CID 111102262) 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-hydroxy-2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
PubChem CID111102262
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(O)CNC(=O)NCc2cc(F)ccc2F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-24-14-5-2-11(3-6-14)16(22)10-21-17(23)20-9-12-8-13(18)4-7-15(12)19/h2-8,16,22H,9-10H2,1H3,(H2,20,21,23)
InChIKeyZXZQSLZAQVVFJZ-UHFFFAOYSA-N
XLogP2.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 110893691
1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 86996503
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 110893336
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55750339
1-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94177078
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
CID 109478476
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea (CID 111102262) is 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea is COc1ccc(C(O)CNC(=O)NCc2cc(F)ccc2F)cc1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is ZXZQSLZAQVVFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-24-14-5-2-11(3-6-14)16(22)10-21-17(23)20-9-12-8-13(18)4-7-15(12)19/h2-8,16,22H,9-10H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea?
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 336.34 g/mol, XLogP of 2.51, 6 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-hydroxy-2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111102262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).