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

C22H26FN3O — CID 60583700

IUPAC1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)NC1CCCc2ccccc21
InChIInChI=1S/C22H26FN3O/c23-18-8-10-19(11-9-18)26-13-12-16(15-26)14-24-22(27)25-21-7-3-5-17-4-1-2-6-20(17)21/h1-2,4,6,8-11,16,21H,3,5,7,12-15H2,(H2,24,25,27)
InChIKeyWITGQUCWPFGUEH-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.03
Rot. Bonds4

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

1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 60583700) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID60583700
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)NC1CCCc2ccccc21
InChIInChI=1S/C22H26FN3O/c23-18-8-10-19(11-9-18)26-13-12-16(15-26)14-24-22(27)25-21-7-3-5-17-4-1-2-6-20(17)21/h1-2,4,6,8-11,16,21H,3,5,7,12-15H2,(H2,24,25,27)
InChIKeyWITGQUCWPFGUEH-UHFFFAOYSA-N
XLogP4.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
1-(1-benzylpiperidin-4-yl)-3-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 95144958
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 52535068
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51093269
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 98786570
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95141495
1-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]urea
CID 124832010
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 52537970

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 60583700) is 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(NCC1CCN(c2ccc(F)cc2)C1)NC1CCCc2ccccc21.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is WITGQUCWPFGUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c23-18-8-10-19(11-9-18)26-13-12-16(15-26)14-24-22(27)25-21-7-3-5-17-4-1-2-6-20(17)21/h1-2,4,6,8-11,16,21H,3,5,7,12-15H2,(H2,24,25,27).
What are the key properties of 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 367.47 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 60583700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).