1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea

C19H22FN3O — CID 22327586

IUPAC1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea
SMILESCc1cccc(N2CCCC2CNC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O/c1-14-4-2-5-17(12-14)23-11-3-6-18(23)13-21-19(24)22-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H2,21,22,24)
InChIKeyAFSPKFUYYYKPTB-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea

1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea (PubChem CID 22327586) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea
PubChem CID22327586
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea
SMILESCc1cccc(N2CCCC2CNC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FN3O/c1-14-4-2-5-17(12-14)23-11-3-6-18(23)13-21-19(24)22-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H2,21,22,24)
InChIKeyAFSPKFUYYYKPTB-UHFFFAOYSA-N
XLogP3.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea (CID 22327586) is 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea is Cc1cccc(N2CCCC2CNC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea?
The InChIKey is AFSPKFUYYYKPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-14-4-2-5-17(12-14)23-11-3-6-18(23)13-21-19(24)22-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H2,21,22,24).
What are the key properties of 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea?
1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea has a molecular weight of 327.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea is sourced from PubChem (CID 22327586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).