(3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide

C18H24FN3O2 — CID 95931367

IUPAC(3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)NC2(c3ccccc3F)CC2)CC1=O
InChIInChI=1S/C18H24FN3O2/c1-21(2)9-10-22-12-13(11-16(22)23)17(24)20-18(7-8-18)14-5-3-4-6-15(14)19/h3-6,13H,7-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyXNYNBCGZFQIECI-ZDUSSCGKSA-N
MW333.41 g/mol
LogP1.34
Rot. Bonds6

About (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95931367) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95931367
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)NC2(c3ccccc3F)CC2)CC1=O
InChIInChI=1S/C18H24FN3O2/c1-21(2)9-10-22-12-13(11-16(22)23)17(24)20-18(7-8-18)14-5-3-4-6-15(14)19/h3-6,13H,7-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyXNYNBCGZFQIECI-ZDUSSCGKSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl]-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 108787450
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
N-[1-(aminomethyl)cyclopentyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119566707
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120604067
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
N-(4-bromonaphthalen-1-yl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 167976588
1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 72913353
(3R)-1-[2-(dimethylamino)ethyl]-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97207589
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide (CID 95931367) is (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1C[C@@H](C(=O)NC2(c3ccccc3F)CC2)CC1=O.
What is the InChIKey of (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XNYNBCGZFQIECI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21(2)9-10-22-12-13(11-16(22)23)17(24)20-18(7-8-18)14-5-3-4-6-15(14)19/h3-6,13H,7-12H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(dimethylamino)ethyl]-N-[1-(2-fluorophenyl)cyclopropyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95931367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).