1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea

C16H18FN3O — CID 47024783

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NCCc1cccc(F)c1)c1ccncc1
InChIInChI=1S/C16H18FN3O/c1-12(14-6-8-18-9-7-14)20-16(21)19-10-5-13-3-2-4-15(17)11-13/h2-4,6-9,11-12H,5,10H2,1H3,(H2,19,20,21)
InChIKeyVUDJKUORQVXCLA-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea

1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea (PubChem CID 47024783) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
PubChem CID47024783
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NCCc1cccc(F)c1)c1ccncc1
InChIInChI=1S/C16H18FN3O/c1-12(14-6-8-18-9-7-14)20-16(21)19-10-5-13-3-2-4-15(17)11-13/h2-4,6-9,11-12H,5,10H2,1H3,(H2,19,20,21)
InChIKeyVUDJKUORQVXCLA-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 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-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
1-[2-(3-bromophenyl)ethyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108901615
1-[2-(3-fluorophenyl)ethyl]-3-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
1-[2-(3-methoxyphenyl)ethyl]-3-(1-phenylethyl)urea
CID 86992683
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878931

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea (CID 47024783) is 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)NCCc1cccc(F)c1)c1ccncc1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is VUDJKUORQVXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12(14-6-8-18-9-7-14)20-16(21)19-10-5-13-3-2-4-15(17)11-13/h2-4,6-9,11-12H,5,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea?
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)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-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 47024783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).