3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea

C19H23FN2O3 — CID 110901348

IUPAC3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H23FN2O3/c1-14-11-15(7-8-17(14)20)12-21-19(24)22(9-10-23)13-16-5-3-4-6-18(16)25-2/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyPGVUMDJJBUNCCN-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.85
Rot. Bonds7

About 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea

3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 110901348) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
PubChem CID110901348
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(CCO)C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H23FN2O3/c1-14-11-15(7-8-17(14)20)12-21-19(24)22(9-10-23)13-16-5-3-4-6-18(16)25-2/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyPGVUMDJJBUNCCN-UHFFFAOYSA-N
XLogP2.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 55819798
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 33304679
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 55819269
1-[(4-fluoro-3-methylphenyl)methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111340878
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51091708
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 110907502
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 111450746
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-(2-phenylcyclopropyl)urea
CID 47764929

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea (CID 110901348) is 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(CCO)C(=O)NCc1ccc(F)c(C)c1.
What is the InChIKey of 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
The InChIKey is PGVUMDJJBUNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-14-11-15(7-8-17(14)20)12-21-19(24)22(9-10-23)13-16-5-3-4-6-18(16)25-2/h3-8,11,23H,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea?
3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 346.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 110901348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).