N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C19H27FN2O3 — CID 112826684

IUPACN-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(C)CCOc2ccc(F)cc2)CC1=O
InChIInChI=1S/C19H27FN2O3/c1-4-16(5-2)22-13-14(12-18(22)23)19(24)21(3)10-11-25-17-8-6-15(20)7-9-17/h6-9,14,16H,4-5,10-13H2,1-3H3
InChIKeyQRSPTHPQTMOXGO-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.70
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 112826684) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID112826684
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(C)CCOc2ccc(F)cc2)CC1=O
InChIInChI=1S/C19H27FN2O3/c1-4-16(5-2)22-13-14(12-18(22)23)19(24)21(3)10-11-25-17-8-6-15(20)7-9-17/h6-9,14,16H,4-5,10-13H2,1-3H3
InChIKeyQRSPTHPQTMOXGO-UHFFFAOYSA-N
XLogP2.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826714
2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826789
(3S)-3-N-[2-(4-fluorophenoxy)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 31793508
1-butanoyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55870530
9-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984064
N-methyl-5-oxo-1-pentan-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 112826771
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 60711684
N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119274354
N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 112826793
1-(1-cyclopropylethyl)-N-[2-(2,4-difluorophenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 167916030
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 112826684) is N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)N(C)CCOc2ccc(F)cc2)CC1=O.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is QRSPTHPQTMOXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-4-16(5-2)22-13-14(12-18(22)23)19(24)21(3)10-11-25-17-8-6-15(20)7-9-17/h6-9,14,16H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112826684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).