1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea

C13H16FN3O2 — CID 95051713

IUPAC1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c1-15-13(19)16-11-5-6-17(8-11)12(18)9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H2,15,16,19)/t11-/m1/s1
InChIKeyOXZRHTPTFCYPGK-LLVKDONJSA-N
MW265.29 g/mol
LogP0.97
Rot. Bonds2

About 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea

1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea (PubChem CID 95051713) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
PubChem CID95051713
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H16FN3O2/c1-15-13(19)16-11-5-6-17(8-11)12(18)9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H2,15,16,19)/t11-/m1/s1
InChIKeyOXZRHTPTFCYPGK-LLVKDONJSA-N
XLogP0.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 53016500
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
2,2-dichloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108566898
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
N-[1-(3-fluorobenzoyl)piperidin-4-yl]pentanamide
CID 110820382
1-[(3R)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 95051733

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea?
The IUPAC name of 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea (CID 95051713) is 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea.
What is the SMILES notation for 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea?
The canonical SMILES for 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea is CNC(=O)N[C@@H]1CCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea?
The InChIKey is OXZRHTPTFCYPGK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-15-13(19)16-11-5-6-17(8-11)12(18)9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H2,15,16,19)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea?
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea has a molecular weight of 265.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea is sourced from PubChem (CID 95051713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).