1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea

C17H18F2N2O — CID 59012208

IUPAC1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
SMILESO=C(NCCF)NC(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18F2N2O/c18-10-11-20-17(22)21-16(12-13-4-2-1-3-5-13)14-6-8-15(19)9-7-14/h1-9,16H,10-12H2,(H2,20,21,22)
InChIKeyOGTYXDUZJLBDQD-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea

1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea (PubChem CID 59012208) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
PubChem CID59012208
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
SMILESO=C(NCCF)NC(Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18F2N2O/c18-10-11-20-17(22)21-16(12-13-4-2-1-3-5-13)14-6-8-15(19)9-7-14/h1-9,16H,10-12H2,(H2,20,21,22)
InChIKeyOGTYXDUZJLBDQD-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
CID 59012228
1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea
CID 59012232
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1-(1,2-diphenylethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 55589771
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea
CID 59012224
3-(benzylamino)-3-(4-fluorophenyl)propanoic acid
CID 23067143
1-(1-cyclohexyl-2-phenylethyl)-3-(2-fluoroethyl)urea;molecular hydrogen
CID 143584718
1,2-diphenylethylurea
CID 2853470
2-acetamido-N-(2-fluoroethyl)-3-phenylpropanamide
CID 75581237
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea (CID 59012208) is 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea is O=C(NCCF)NC(Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea?
The InChIKey is OGTYXDUZJLBDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-10-11-20-17(22)21-16(12-13-4-2-1-3-5-13)14-6-8-15(19)9-7-14/h1-9,16H,10-12H2,(H2,20,21,22).
What are the key properties of 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea?
1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea has a molecular weight of 304.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea is sourced from PubChem (CID 59012208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).