2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide

C18H26FN3O2 — CID 136528711

IUPAC2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
SMILESCC1CC(c2cccc(F)c2)N(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-14-11-17(15-3-2-4-16(19)12-15)22(13-14)18(23)20-5-6-21-7-9-24-10-8-21/h2-4,12,14,17H,5-11,13H2,1H3,(H,20,23)
InChIKeyFTEWUEJZAXMVHT-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide

2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 136528711) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
PubChem CID136528711
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
SMILESCC1CC(c2cccc(F)c2)N(C(=O)NCCN2CCOCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-14-11-17(15-3-2-4-16(19)12-15)22(13-14)18(23)20-5-6-21-7-9-24-10-8-21/h2-4,12,14,17H,5-11,13H2,1H3,(H,20,23)
InChIKeyFTEWUEJZAXMVHT-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119793860
3-[(2S,4R)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 96519422
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119329379
4-[[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023377
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119793865
(2R)-2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]propan-1-one
CID 119329386
1-[(2R,4S)-2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methylsulfonylpropan-1-one
CID 95979608
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 97199090
4-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120592747

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide (CID 136528711) is 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide is CC1CC(c2cccc(F)c2)N(C(=O)NCCN2CCOCC2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is FTEWUEJZAXMVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14-11-17(15-3-2-4-16(19)12-15)22(13-14)18(23)20-5-6-21-7-9-24-10-8-21/h2-4,12,14,17H,5-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide?
2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136528711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).