1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea

C15H20FN3O2 — CID 95051733

IUPAC1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O2/c1-10(2)17-15(21)18-13-7-8-19(9-13)14(20)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyVNGKARJEYARMJK-CYBMUJFWSA-N
MW293.34 g/mol
LogP1.75
Rot. Bonds3

About 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea

1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 95051733) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID95051733
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H20FN3O2/c1-10(2)17-15(21)18-13-7-8-19(9-13)14(20)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H2,17,18,21)/t13-/m1/s1
InChIKeyVNGKARJEYARMJK-CYBMUJFWSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 53016500
(4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413852
1-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110821055
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
4-fluoro-N-[1-(4-fluorobenzoyl)piperidin-3-yl]benzamide
CID 11450767
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
CID 121271213
1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea
CID 95632696

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea (CID 95051733) is 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)N[C@@H]1CCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is VNGKARJEYARMJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10(2)17-15(21)18-13-7-8-19(9-13)14(20)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H2,17,18,21)/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 293.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 95051733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).