N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide

C16H22FN3O2 — CID 119291035

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCCN1
InChIInChI=1S/C16H22FN3O2/c1-2-20(16(22)14-4-3-9-18-14)11-15(21)19-10-12-5-7-13(17)8-6-12/h5-8,14,18H,2-4,9-11H2,1H3,(H,19,21)
InChIKeyONMAUMVGUOAITA-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.04
Rot. Bonds6

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 119291035) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID119291035
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCCN1
InChIInChI=1S/C16H22FN3O2/c1-2-20(16(22)14-4-3-9-18-14)11-15(21)19-10-12-5-7-13(17)8-6-12/h5-8,14,18H,2-4,9-11H2,1H3,(H,19,21)
InChIKeyONMAUMVGUOAITA-UHFFFAOYSA-N
XLogP1.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 119680698
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
(2S)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 93367971
N-[2-(benzylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119331213
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119291082
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
CID 119291047
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680686
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55666674
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119318530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 119291035) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCCN1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is ONMAUMVGUOAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-2-20(16(22)14-4-3-9-18-14)11-15(21)19-10-12-5-7-13(17)8-6-12/h5-8,14,18H,2-4,9-11H2,1H3,(H,19,21).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119291035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).