N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C18H24F2N2O2 — CID 112826789

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(C)Cc2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C18H24F2N2O2/c1-4-14(5-2)22-11-13(9-17(22)23)18(24)21(3)10-12-6-7-15(19)16(20)8-12/h6-8,13-14H,4-5,9-11H2,1-3H3
InChIKeyIEWRQBMDRPWVPI-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.96
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 112826789) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID112826789
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)N(C)Cc2ccc(F)c(F)c2)CC1=O
InChIInChI=1S/C18H24F2N2O2/c1-4-14(5-2)22-11-13(9-17(22)23)18(24)21(3)10-12-6-7-15(19)16(20)8-12/h6-8,13-14H,4-5,9-11H2,1-3H3
InChIKeyIEWRQBMDRPWVPI-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

2-[methyl-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119346721
N-methyl-5-oxo-1-pentan-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 112826771
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826684
N-[1-(4-fluorophenyl)ethyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826714
N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120649054
N-[(3,4-difluorophenyl)methyl]-N-methylspiro[2.5]octane-6-carboxamide
CID 146136290
N-methyl-5-oxo-1-pentan-3-yl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 112826793
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512301
N-ethyl-5-oxo-1-pentan-3-yl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 112826778
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826660
(3R)-N-benzyl-1-[(2R)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9365076
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 112826789) is N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)N(C)Cc2ccc(F)c(F)c2)CC1=O.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is IEWRQBMDRPWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-4-14(5-2)22-11-13(9-17(22)23)18(24)21(3)10-12-6-7-15(19)16(20)8-12/h6-8,13-14H,4-5,9-11H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112826789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).