2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide

C23H20F2N2O2 — CID 167890494

IUPAC2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide
SMILESO=C(NCc1cccc2ccccc12)C(=O)N1CCCC1c1cc(F)ccc1F
InChIInChI=1S/C23H20F2N2O2/c24-17-10-11-20(25)19(13-17)21-9-4-12-27(21)23(29)22(28)26-14-16-7-3-6-15-5-1-2-8-18(15)16/h1-3,5-8,10-11,13,21H,4,9,12,14H2,(H,26,28)
InChIKeyFEOJGKZZWFUNRH-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.10
Rot. Bonds3

About 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide

2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide (PubChem CID 167890494) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide
PubChem CID167890494
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC Name2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide
SMILESO=C(NCc1cccc2ccccc12)C(=O)N1CCCC1c1cc(F)ccc1F
InChIInChI=1S/C23H20F2N2O2/c24-17-10-11-20(25)19(13-17)21-9-4-12-27(21)23(29)22(28)26-14-16-7-3-6-15-5-1-2-8-18(15)16/h1-3,5-8,10-11,13,21H,4,9,12,14H2,(H,26,28)
InChIKeyFEOJGKZZWFUNRH-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 60575634
1-(2,5-difluorophenyl)sulfonyl-N'-(2-naphthalen-1-ylacetyl)piperidine-4-carbohydrazide
CID 25410031
2-(2,5-difluorophenyl)-1-(2-ethylphenyl)sulfonylpyrrolidine
CID 166330262
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080
(2S)-4-[(2R)-2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 139448769
N-(2,4-difluorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804171
N-tert-butyl-5-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]-2-fluorobenzenesulfonamide
CID 166330291
4-[(2-naphthalen-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021478
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[1-(cyclopropylmethyl)triazol-4-yl]-2-(2,5-difluorophenyl)pyrrolidine-1-carboxamide
CID 166292760
(5-tert-butyl-1,3-oxazol-2-yl)-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]methanone
CID 166274673
tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide (CID 167890494) is 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide is O=C(NCc1cccc2ccccc12)C(=O)N1CCCC1c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide?
The InChIKey is FEOJGKZZWFUNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c24-17-10-11-20(25)19(13-17)21-9-4-12-27(21)23(29)22(28)26-14-16-7-3-6-15-5-1-2-8-18(15)16/h1-3,5-8,10-11,13,21H,4,9,12,14H2,(H,26,28).
What are the key properties of 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide?
2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide has a molecular weight of 394.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(naphthalen-1-ylmethyl)-2-oxoacetamide is sourced from PubChem (CID 167890494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).