1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea

C17H19FN2O3 — CID 51091708

IUPAC1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C17H19FN2O3/c1-23-16-5-3-2-4-13(16)10-20-17(22)19-9-12-6-7-14(11-21)15(18)8-12/h2-8,21H,9-11H2,1H3,(H2,19,20,22)
InChIKeyMTQUVNJSJYKVPK-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.33
Rot. Bonds6

About 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea

1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 51091708) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea
PubChem CID51091708
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)NCc1ccc(CO)c(F)c1
InChIInChI=1S/C17H19FN2O3/c1-23-16-5-3-2-4-13(16)10-20-17(22)19-9-12-6-7-14(11-21)15(18)8-12/h2-8,21H,9-11H2,1H3,(H2,19,20,22)
InChIKeyMTQUVNJSJYKVPK-UHFFFAOYSA-N
XLogP2.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
1-[[2-(4-fluorophenyl)acetyl]amino]-3-[(2-methoxyphenyl)methyl]urea
CID 41182201
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216563
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(2-methylpropoxy)phenyl]methyl]urea
CID 60554654
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108913694
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea (CID 51091708) is 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)NCc1ccc(CO)c(F)c1.
What is the InChIKey of 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is MTQUVNJSJYKVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-23-16-5-3-2-4-13(16)10-20-17(22)19-9-12-6-7-14(11-21)15(18)8-12/h2-8,21H,9-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea?
1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 318.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 51091708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).