N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C14H17FN2O2 — CID 146125472

IUPACN-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2CC(=O)N(C)C2)ccc1F
InChIInChI=1S/C14H17FN2O2/c1-3-9-6-11(4-5-12(9)15)16-14(19)10-7-13(18)17(2)8-10/h4-6,10H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyPNQHRFPIKMAQJJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.80
Rot. Bonds3

About N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 146125472) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID146125472
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(NC(=O)C2CC(=O)N(C)C2)ccc1F
InChIInChI=1S/C14H17FN2O2/c1-3-9-6-11(4-5-12(9)15)16-14(19)10-7-13(18)17(2)8-10/h4-6,10H,3,7-8H2,1-2H3,(H,16,19)
InChIKeyPNQHRFPIKMAQJJ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7357016
N-(4-fluoro-3-nitrophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125696
N-[4-(diethylamino)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 42956709
1-(2,6-diethylphenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186941
(3S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95163305
(3R)-N-(3-benzoylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 7343636
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
methyl N-[5-[[(3R)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-2-fluorophenyl]carbamate
CID 95173124
1-[(2-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183678
N-(3,4-difluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183892
N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146124256
1-methyl-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71897000

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 146125472) is N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CCc1cc(NC(=O)C2CC(=O)N(C)C2)ccc1F.
What is the InChIKey of N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PNQHRFPIKMAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-9-6-11(4-5-12(9)15)16-14(19)10-7-13(18)17(2)8-10/h4-6,10H,3,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 146125472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).