1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea

C16H18FN3O — CID 61014414

IUPAC1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
SMILESNCCN(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H18FN3O/c17-14-8-4-5-9-15(14)19-16(21)20(11-10-18)12-13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,21)
InChIKeyFQGSOZNWKRENNQ-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea

1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea (PubChem CID 61014414) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
PubChem CID61014414
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
SMILESNCCN(Cc1ccccc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H18FN3O/c17-14-8-4-5-9-15(14)19-16(21)20(11-10-18)12-13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,21)
InChIKeyFQGSOZNWKRENNQ-UHFFFAOYSA-N
XLogP2.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-1-benzyl-3-(4-fluorophenyl)urea
CID 61014415
1-benzyl-3-(2-fluorophenyl)-1-(4-methoxybutyl)urea
CID 47072864
1-benzyl-1-tert-butyl-3-(2-fluorophenyl)urea
CID 4803240
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-propylurea
CID 79667605
1-(2-aminoethyl)-1-cyclobutyl-3-(2-fluorophenyl)urea
CID 102874295
1-benzyl-3-(2,4-difluorophenyl)-1-ethylurea
CID 108989059
methyl 3-[benzyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoate
CID 42697996
1,1-dibenzyl-3-(2-sulfanylphenyl)urea
CID 108886407
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
[4-[[butyl-[(2-fluorophenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 3929738

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea (CID 61014414) is 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea is NCCN(Cc1ccccc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea?
The InChIKey is FQGSOZNWKRENNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c17-14-8-4-5-9-15(14)19-16(21)20(11-10-18)12-13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,21).
What are the key properties of 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea?
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea has a molecular weight of 287.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea is sourced from PubChem (CID 61014414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).