N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide

C17H17F2N3O — CID 136540145

IUPACN-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(c2ccccn2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O/c18-13-4-5-16(14(19)9-13)21-17(23)11-22-8-6-12(10-22)15-3-1-2-7-20-15/h1-5,7,9,12H,6,8,10-11H2,(H,21,23)
InChIKeyITLIGDBCDSCORS-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.79
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide

N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 136540145) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide
PubChem CID136540145
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCC(c2ccccn2)C1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H17F2N3O/c18-13-4-5-16(14(19)9-13)21-17(23)11-22-8-6-12(10-22)15-3-1-2-7-20-15/h1-5,7,9,12H,6,8,10-11H2,(H,21,23)
InChIKeyITLIGDBCDSCORS-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2,4-difluorophenyl)acetamide
CID 11940559
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
N-(2,5-difluorophenyl)-2-[4-[2-(pyridin-2-ylamino)-4-pyridinyl]piperidin-1-yl]acetamide
CID 110109854
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide
CID 53172348
N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615559
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
N-(2,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17282582
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,4-difluorophenyl)acetamide
CID 60972273
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide (CID 136540145) is N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide is O=C(CN1CCC(c2ccccn2)C1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is ITLIGDBCDSCORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c18-13-4-5-16(14(19)9-13)21-17(23)11-22-8-6-12(10-22)15-3-1-2-7-20-15/h1-5,7,9,12H,6,8,10-11H2,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide?
N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 317.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 136540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).