N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide

C13H15FN2O2 — CID 95051606

IUPACN-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H15FN2O2/c1-9(17)15-12-5-6-16(8-12)13(18)10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyDEDFOUOWDDCUEI-LBPRGKRZSA-N
MW250.27 g/mol
LogP1.18
Rot. Bonds2

About N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide

N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide (PubChem CID 95051606) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
PubChem CID95051606
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C13H15FN2O2/c1-9(17)15-12-5-6-16(8-12)13(18)10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyDEDFOUOWDDCUEI-LBPRGKRZSA-N
XLogP1.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
CID 95051620
1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 53016500
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
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-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide (CID 95051606) is N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is DEDFOUOWDDCUEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(17)15-12-5-6-16(8-12)13(18)10-3-2-4-11(14)7-10/h2-4,7,12H,5-6,8H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide?
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 250.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 95051606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).