1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea

C15H18FN3O2 — CID 95051771

IUPAC1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)N[C@@H]1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)18-15(21)17-11-7-8-19(9-11)14(20)10-5-6-10/h1-4,10-11H,5-9H2,(H2,17,18,21)/t11-/m1/s1
InChIKeyWJLBEZZLYMIJOO-LLVKDONJSA-N
MW291.33 g/mol
LogP1.96
Rot. Bonds3

About 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea

1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea (PubChem CID 95051771) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
PubChem CID95051771
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)N[C@@H]1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)18-15(21)17-11-7-8-19(9-11)14(20)10-5-6-10/h1-4,10-11H,5-9H2,(H2,17,18,21)/t11-/m1/s1
InChIKeyWJLBEZZLYMIJOO-LLVKDONJSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 67293554
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
1-benzyl-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874685
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-pyrazol-1-ylphenyl)urea
CID 47040924
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 110871474
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea (CID 95051771) is 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)N[C@@H]1CCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
The InChIKey is WJLBEZZLYMIJOO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-3-1-2-4-13(12)18-15(21)17-11-7-8-19(9-11)14(20)10-5-6-10/h1-4,10-11H,5-9H2,(H2,17,18,21)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea?
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea has a molecular weight of 291.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 95051771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).