N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

C20H22FN3O3 — CID 164595761

IUPACN-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(=O)c3ccccc3F)cn2C)C1
InChIInChI=1S/C20H22FN3O3/c1-13(25)23(3)15-8-9-24(12-15)20(27)18-10-14(11-22(18)2)19(26)16-6-4-5-7-17(16)21/h4-7,10-11,15H,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyOXQFXDZBVLQTLK-OAHLLOKOSA-N
MW371.41 g/mol
LogP2.09
Rot. Bonds4

About N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide

N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 164595761) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID164595761
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(=O)c3ccccc3F)cn2C)C1
InChIInChI=1S/C20H22FN3O3/c1-13(25)23(3)15-8-9-24(12-15)20(27)18-10-14(11-22(18)2)19(26)16-6-4-5-7-17(16)21/h4-7,10-11,15H,8-9,12H2,1-3H3/t15-/m1/s1
InChIKeyOXQFXDZBVLQTLK-OAHLLOKOSA-N
XLogP2.09
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
N-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 59492670
[3-(dimethylamino)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 55159465
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
N-methyl-N-[1-(2-methylsulfonylbenzoyl)piperidin-4-yl]acetamide
CID 47080407
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
[(3aS,7aS)-5-[2-(dimethylamino)ethyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(2-fluorophenyl)methanone
CID 124808474
(3S)-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 129368662
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide (CID 164595761) is N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(C(=O)c3ccccc3F)cn2C)C1.
What is the InChIKey of N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is OXQFXDZBVLQTLK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-13(25)23(3)15-8-9-24(12-15)20(27)18-10-14(11-22(18)2)19(26)16-6-4-5-7-17(16)21/h4-7,10-11,15H,8-9,12H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 371.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-(2-fluorobenzoyl)-1-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 164595761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).