N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide

C15H19FN2O3 — CID 108754190

IUPACN-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide
SMILESCOC1CCN(C(=O)CCC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O3/c1-21-13-8-9-18(10-13)15(20)7-6-14(19)17-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,19)
InChIKeyCXNQLQCQXPQJCY-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.79
Rot. Bonds5

About N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide

N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide (PubChem CID 108754190) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide
PubChem CID108754190
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide
SMILESCOC1CCN(C(=O)CCC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O3/c1-21-13-8-9-18(10-13)15(20)7-6-14(19)17-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,19)
InChIKeyCXNQLQCQXPQJCY-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
2-(4-fluorophenyl)-N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]acetamide
CID 97427776
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
N-(4-fluorophenyl)-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutanamide
CID 108756922
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]pentanamide
CID 97427535
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 115963714
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
2-(4-fluorophenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141438
N-[4-(1-hydroxyethyl)phenyl]-3-methoxypyrrolidine-1-carboxamide
CID 103537365
N-[4-(4-methoxypiperidin-1-yl)phenyl]butanamide
CID 90595801

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide (CID 108754190) is N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide is COC1CCN(C(=O)CCC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide?
The InChIKey is CXNQLQCQXPQJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-21-13-8-9-18(10-13)15(20)7-6-14(19)17-12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide?
N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide has a molecular weight of 294.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 108754190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).