1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride

C17H26ClFN4O — CID 120899475

IUPAC1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride
SMILESCC1(CN2CCC(NC(=O)Nc3ccc(F)cc3)C2)CCNC1.Cl
InChIInChI=1S/C17H25FN4O.ClH/c1-17(7-8-19-11-17)12-22-9-6-15(10-22)21-16(23)20-14-4-2-13(18)3-5-14;/h2-5,15,19H,6-12H2,1H3,(H2,20,21,23);1H
InChIKeyBBXMXCVRHWDWCY-UHFFFAOYSA-N
MW356.87 g/mol
LogP2.44
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride

1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride (PubChem CID 120899475) has the molecular formula C17H26ClFN4O and a molecular weight of 356.87 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride
PubChem CID120899475
Molecular FormulaC17H26ClFN4O
Molecular Weight356.87 g/mol
Exact Mass356.18
IUPAC Name1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride
SMILESCC1(CN2CCC(NC(=O)Nc3ccc(F)cc3)C2)CCNC1.Cl
InChIInChI=1S/C17H25FN4O.ClH/c1-17(7-8-19-11-17)12-22-9-6-15(10-22)21-16(23)20-14-4-2-13(18)3-5-14;/h2-5,15,19H,6-12H2,1H3,(H2,20,21,23);1H
InChIKeyBBXMXCVRHWDWCY-UHFFFAOYSA-N
XLogP2.44
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.87
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride with MolForge

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Related Compounds

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1-(4-fluorophenyl)-3-[(3R)-1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]urea
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1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
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N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
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1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
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1-cyclopropyl-3-(4-fluorophenyl)urea
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1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
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1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
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2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
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1-(4-fluorophenyl)-3-[(3S)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride (CID 120899475) is 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride is CC1(CN2CCC(NC(=O)Nc3ccc(F)cc3)C2)CCNC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride?
The InChIKey is BBXMXCVRHWDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O.ClH/c1-17(7-8-19-11-17)12-22-9-6-15(10-22)21-16(23)20-14-4-2-13(18)3-5-14;/h2-5,15,19H,6-12H2,1H3,(H2,20,21,23);1H.
What are the key properties of 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride?
1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride has a molecular weight of 356.87 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]urea;hydrochloride is sourced from PubChem (CID 120899475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).