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

C16H18FN3O — CID 33431970

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(13-6-8-14(17)9-7-13)19-16(21)20-12(2)15-5-3-4-10-18-15/h3-12H,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1
InChIKeySMYSPXQDIRXRRB-VXGBXAGGSA-N
MW287.34 g/mol
LogP3.34
Rot. Bonds4

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

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 33431970) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID33431970
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(13-6-8-14(17)9-7-13)19-16(21)20-12(2)15-5-3-4-10-18-15/h3-12H,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1
InChIKeySMYSPXQDIRXRRB-VXGBXAGGSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 35938252
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182556
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118
1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36970112
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
1-(4-fluorophenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethanol
CID 81401380
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea (CID 33431970) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea is C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is SMYSPXQDIRXRRB-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(13-6-8-14(17)9-7-13)19-16(21)20-12(2)15-5-3-4-10-18-15/h3-12H,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 287.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 33431970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).