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

C15H20FN3O2 — CID 53016500

IUPAC1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H20FN3O2/c1-10(2)17-15(21)18-13-6-7-19(9-13)14(20)11-4-3-5-12(16)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,17,18,21)
InChIKeyDROCXEAKOLUOBF-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.75
Rot. Bonds3

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

1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 53016500) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID53016500
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C15H20FN3O2/c1-10(2)17-15(21)18-13-6-7-19(9-13)14(20)11-4-3-5-12(16)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,17,18,21)
InChIKeyDROCXEAKOLUOBF-UHFFFAOYSA-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-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea (CID 53016500) is 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is DROCXEAKOLUOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10(2)17-15(21)18-13-6-7-19(9-13)14(20)11-4-3-5-12(16)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
1-[1-(3-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-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 53016500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).