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

C15H20FN3O2 — CID 94866111

IUPAC(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1F
InChIInChI=1S/C15H20FN3O2/c1-19(13-6-3-2-5-11(13)16)10-4-9-17-15(21)12-7-8-14(20)18-12/h2-3,5-6,12H,4,7-10H2,1H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyHXYRBJAMMJDUIN-LBPRGKRZSA-N
MW293.34 g/mol
LogP1.05
Rot. Bonds6

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

(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 94866111) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID94866111
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
SMILESCN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1F
InChIInChI=1S/C15H20FN3O2/c1-19(13-6-3-2-5-11(13)16)10-4-9-17-15(21)12-7-8-14(20)18-12/h2-3,5-6,12H,4,7-10H2,1H3,(H,17,21)(H,18,20)/t12-/m0/s1
InChIKeyHXYRBJAMMJDUIN-LBPRGKRZSA-N
XLogP1.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71939165
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
CID 55907767
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-2-carboxamide
CID 110445241
N-(5-hydroxypentyl)-5-oxopyrrolidine-2-carboxamide
CID 107319131
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
CID 120503280

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide (CID 94866111) is (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide is CN(CCCNC(=O)[C@@H]1CCC(=O)N1)c1ccccc1F.
What is the InChIKey of (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HXYRBJAMMJDUIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-19(13-6-3-2-5-11(13)16)10-4-9-17-15(21)12-7-8-14(20)18-12/h2-3,5-6,12H,4,7-10H2,1H3,(H,17,21)(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 94866111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).