1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea

C18H21FN2O3 — CID 110893336

IUPAC1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)NCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3/c1-24-12-14-4-2-13(3-5-14)10-20-18(23)21-11-17(22)15-6-8-16(19)9-7-15/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23)
InChIKeyGXBOCNJQOBAJAA-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.50
Rot. Bonds7

About 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea (PubChem CID 110893336) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
PubChem CID110893336
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)NCC(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O3/c1-24-12-14-4-2-13(3-5-14)10-20-18(23)21-11-17(22)15-6-8-16(19)9-7-15/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23)
InChIKeyGXBOCNJQOBAJAA-UHFFFAOYSA-N
XLogP2.50
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(4-hydroxyphenyl)methyl]urea
CID 110895643
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[(3-methylphenyl)methyl]urea
CID 110893364
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 86996503
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111482920
3-[(4-fluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109659
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
CID 111458129
1-[(1-ethylcyclopropyl)methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111833784
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 110893422
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea (CID 110893336) is 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea is COCc1ccc(CNC(=O)NCC(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is GXBOCNJQOBAJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-24-12-14-4-2-13(3-5-14)10-20-18(23)21-11-17(22)15-6-8-16(19)9-7-15/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110893336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).