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

C14H17FN2O2 — CID 95051620

IUPACN-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O2/c1-2-13(18)16-12-6-7-17(9-12)14(19)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyZQRXUYMHWALXHN-LBPRGKRZSA-N
MW264.30 g/mol
LogP1.57
Rot. Bonds3

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

N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide (PubChem CID 95051620) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
PubChem CID95051620
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O2/c1-2-13(18)16-12-6-7-17(9-12)14(19)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyZQRXUYMHWALXHN-LBPRGKRZSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
1-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-methylurea
CID 95051713
1-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 53016500
N-[1-(3-fluorobenzoyl)piperidin-4-yl]pentanamide
CID 110820382
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 114506764
(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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide (CID 95051620) is N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide is CCC(=O)N[C@H]1CCN(C(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide?
The InChIKey is ZQRXUYMHWALXHN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-13(18)16-12-6-7-17(9-12)14(19)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide?
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]propanamide has a molecular weight of 264.30 g/mol, XLogP of 1.57, 3 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]propanamide is sourced from PubChem (CID 95051620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).