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

C17H18F2N2O2 — CID 110893413

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCCc1ccccc1F)NCC(O)c1ccccc1F
InChIInChI=1S/C17H18F2N2O2/c18-14-7-3-1-5-12(14)9-10-20-17(23)21-11-16(22)13-6-2-4-8-15(13)19/h1-8,16,22H,9-11H2,(H2,20,21,23)
InChIKeyHGMDRBANYPLCAJ-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.54
Rot. Bonds6

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

1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 110893413) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID110893413
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCCc1ccccc1F)NCC(O)c1ccccc1F
InChIInChI=1S/C17H18F2N2O2/c18-14-7-3-1-5-12(14)9-10-20-17(23)21-11-16(22)13-6-2-4-8-15(13)19/h1-8,16,22H,9-11H2,(H2,20,21,23)
InChIKeyHGMDRBANYPLCAJ-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 111969990
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109609
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111566
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111368
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
1-(3,5-difluorophenyl)-3-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 94811823
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 110893413) is 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is O=C(NCCc1ccccc1F)NCC(O)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is HGMDRBANYPLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-14-7-3-1-5-12(14)9-10-20-17(23)21-11-16(22)13-6-2-4-8-15(13)19/h1-8,16,22H,9-11H2,(H2,20,21,23).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 320.34 g/mol, XLogP of 2.54, 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-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110893413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).