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

C16H18FN3O — CID 36962482

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)NCCc1cccc(F)c1)c1ccccn1
InChIInChI=1S/C16H18FN3O/c1-12(15-7-2-3-9-18-15)20-16(21)19-10-8-13-5-4-6-14(17)11-13/h2-7,9,11-12H,8,10H2,1H3,(H2,19,20,21)/t12-/m0/s1
InChIKeyAOELDOLTWBZLMY-LBPRGKRZSA-N
MW287.34 g/mol
LogP2.82
Rot. Bonds5

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

1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (PubChem CID 36962482) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
PubChem CID36962482
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
SMILESC[C@H](NC(=O)NCCc1cccc(F)c1)c1ccccn1
InChIInChI=1S/C16H18FN3O/c1-12(15-7-2-3-9-18-15)20-16(21)19-10-8-13-5-4-6-14(17)11-13/h2-7,9,11-12H,8,10H2,1H3,(H2,19,20,21)/t12-/m0/s1
InChIKeyAOELDOLTWBZLMY-LBPRGKRZSA-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-[(R)-phenyl(pyridin-2-yl)methyl]urea
CID 36962476
N,N-dimethyl-3-[2-(1-pyridin-2-ylethylcarbamoylamino)ethyl]benzamide
CID 71990686
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
1-(4-phenylbutyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36520752
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(1-pyridin-2-ylethyl)urea
CID 48636675
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431185
N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
CID 94656519
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
1-[2-(3-fluorophenyl)ethyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878931
1-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 108901254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea (CID 36962482) is 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea is C[C@H](NC(=O)NCCc1cccc(F)c1)c1ccccn1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
The InChIKey is AOELDOLTWBZLMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12(15-7-2-3-9-18-15)20-16(21)19-10-8-13-5-4-6-14(17)11-13/h2-7,9,11-12H,8,10H2,1H3,(H2,19,20,21)/t12-/m0/s1.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea?
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-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-[(1S)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 36962482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).