1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea

C15H22FN3O — CID 94197353

IUPAC1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
SMILESCCCN1CC[C@H](CNC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O/c1-2-8-19-9-7-12(11-19)10-17-15(20)18-14-5-3-13(16)4-6-14/h3-6,12H,2,7-11H2,1H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyBNIBNNYTYFHTHE-GFCCVEGCSA-N
MW279.36 g/mol
LogP2.68
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea

1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea (PubChem CID 94197353) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
PubChem CID94197353
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
SMILESCCCN1CC[C@H](CNC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O/c1-2-8-19-9-7-12(11-19)10-17-15(20)18-14-5-3-13(16)4-6-14/h3-6,12H,2,7-11H2,1H3,(H2,17,18,20)/t12-/m1/s1
InChIKeyBNIBNNYTYFHTHE-GFCCVEGCSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312
1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94503931
1-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]-3-(4-fluorophenyl)urea
CID 95205026
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(4-fluorophenyl)acetamide
CID 60856879
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
1-[3-methyl-5-(4-methylpiperazin-1-yl)phenyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 119046461
4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide
CID 129369399
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 111453237
4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide
CID 126809247
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 23609169

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea (CID 94197353) is 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea is CCCN1CC[C@H](CNC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea?
The InChIKey is BNIBNNYTYFHTHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-8-19-9-7-12(11-19)10-17-15(20)18-14-5-3-13(16)4-6-14/h3-6,12H,2,7-11H2,1H3,(H2,17,18,20)/t12-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea?
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea has a molecular weight of 279.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 94197353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).