N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C16H22FN3O2 — CID 71939165

IUPACN-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCCN(C)c2ccccc2F)CC1=O
InChIInChI=1S/C16H22FN3O2/c1-19(14-7-4-3-6-13(14)17)9-5-8-18-16(22)12-10-15(21)20(2)11-12/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyUJTDHIMKWICUAN-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.25
Rot. Bonds6

About N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 71939165) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID71939165
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCCN(C)c2ccccc2F)CC1=O
InChIInChI=1S/C16H22FN3O2/c1-19(14-7-4-3-6-13(14)17)9-5-8-18-16(22)12-10-15(21)20(2)11-12/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,22)
InChIKeyUJTDHIMKWICUAN-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
(3S)-1-(2,4-difluorophenyl)-N-[3-(N-methylanilino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 51938382
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
CID 55907767
1-[3-(dimethylamino)propyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 108787450
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
1-benzyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 4827205
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71985912

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 71939165) is N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCCCN(C)c2ccccc2F)CC1=O.
What is the InChIKey of N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UJTDHIMKWICUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-19(14-7-4-3-6-13(14)17)9-5-8-18-16(22)12-10-15(21)20(2)11-12/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71939165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).