1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea

C17H20FN3O — CID 59012224

IUPAC1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea
SMILESCc1cccc(C(Cc2ccncc2)NC(=O)NCCF)c1
InChIInChI=1S/C17H20FN3O/c1-13-3-2-4-15(11-13)16(21-17(22)20-10-7-18)12-14-5-8-19-9-6-14/h2-6,8-9,11,16H,7,10,12H2,1H3,(H2,20,21,22)
InChIKeyGZPMNNSQLBMKOB-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.94
Rot. Bonds6

About 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea

1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea (PubChem CID 59012224) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea
PubChem CID59012224
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea
SMILESCc1cccc(C(Cc2ccncc2)NC(=O)NCCF)c1
InChIInChI=1S/C17H20FN3O/c1-13-3-2-4-15(11-13)16(21-17(22)20-10-7-18)12-14-5-8-19-9-6-14/h2-6,8-9,11,16H,7,10,12H2,1H3,(H2,20,21,22)
InChIKeyGZPMNNSQLBMKOB-UHFFFAOYSA-N
XLogP2.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550882
1-(2-fluoroethyl)-3-[2-(2-fluorophenyl)-1-pyridin-4-ylethyl]urea
CID 59012232
1-(2-fluoroethyl)-3-[1-(4-fluorophenyl)-2-phenylethyl]urea
CID 59012208
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
1-(2-fluoroethyl)-3-(1-naphthalen-1-yl-2-phenylethyl)urea
CID 59012228
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
N-[2-hydroxy-1-(3-methylphenyl)ethyl]-2-methylpropanamide
CID 20635114
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea
CID 111506991
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea (CID 59012224) is 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea is Cc1cccc(C(Cc2ccncc2)NC(=O)NCCF)c1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea?
The InChIKey is GZPMNNSQLBMKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-13-3-2-4-15(11-13)16(21-17(22)20-10-7-18)12-14-5-8-19-9-6-14/h2-6,8-9,11,16H,7,10,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea?
1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea has a molecular weight of 301.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[1-(3-methylphenyl)-2-pyridin-4-ylethyl]urea is sourced from PubChem (CID 59012224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).