1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea

C18H21FN2O2 — CID 111119522

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(O)CNC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-13-6-2-4-8-15(13)17(22)12-21-18(23)20-11-10-14-7-3-5-9-16(14)19/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23)
InChIKeyMTGQRNZIKYKUCT-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.71
Rot. Bonds6

About 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea

1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 111119522) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
PubChem CID111119522
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(O)CNC(=O)NCCc1ccccc1F
InChIInChI=1S/C18H21FN2O2/c1-13-6-2-4-8-15(13)17(22)12-21-18(23)20-11-10-14-7-3-5-9-16(14)19/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23)
InChIKeyMTGQRNZIKYKUCT-UHFFFAOYSA-N
XLogP2.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
3-(2-fluorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylpropanamide
CID 111437226
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109609
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119622
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-propylphenyl)urea
CID 111120539
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111368
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
CID 60591384

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (CID 111119522) is 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is Cc1ccccc1C(O)CNC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is MTGQRNZIKYKUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13-6-2-4-8-15(13)17(22)12-21-18(23)20-11-10-14-7-3-5-9-16(14)19/h2-9,17,22H,10-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 316.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 111119522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).