1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

C19H23FN2O3 — CID 110929828

IUPAC1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCOc1ccccc1CCNC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3/c1-2-25-18-6-4-3-5-15(18)11-12-21-19(24)22-13-17(23)14-7-9-16(20)10-8-14/h3-10,17,23H,2,11-13H2,1H3,(H2,21,22,24)
InChIKeyFUDQAAXURRODEV-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.80
Rot. Bonds8

About 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea

1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 110929828) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID110929828
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
SMILESCCOc1ccccc1CCNC(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3/c1-2-25-18-6-4-3-5-15(18)11-12-21-19(24)22-13-17(23)14-7-9-16(20)10-8-14/h3-10,17,23H,2,11-13H2,1H3,(H2,21,22,24)
InChIKeyFUDQAAXURRODEV-UHFFFAOYSA-N
XLogP2.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 36511989
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
1-(3-hydroxy-3-phenylpropyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111478718
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]urea
CID 111458129
2-ethoxy-N-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 86980944
2-amino-N-[2-(2-ethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120668248
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-prop-2-ynylurea
CID 110893329
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea (CID 110929828) is 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is CCOc1ccccc1CCNC(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is FUDQAAXURRODEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-2-25-18-6-4-3-5-15(18)11-12-21-19(24)22-13-17(23)14-7-9-16(20)10-8-14/h3-10,17,23H,2,11-13H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea?
1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 346.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110929828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).