2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide

C25H33FN2O — CID 18639418

IUPAC2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
SMILESCCCC(C)(c1cccc(F)c1)C1C[C@H]1CC(=O)NCCCCc1cccnc1
InChIInChI=1S/C25H33FN2O/c1-3-12-25(2,21-10-6-11-22(26)17-21)23-15-20(23)16-24(29)28-14-5-4-8-19-9-7-13-27-18-19/h6-7,9-11,13,17-18,20,23H,3-5,8,12,14-16H2,1-2H3,(H,28,29)/t20-,23?,25?/m0/s1
InChIKeyIQSALSAWTOAMDD-UPDUBSDMSA-N
MW396.55 g/mol
LogP5.44
Rot. Bonds11

About 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide

2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide (PubChem CID 18639418) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
PubChem CID18639418
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC Name2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
SMILESCCCC(C)(c1cccc(F)c1)C1C[C@H]1CC(=O)NCCCCc1cccnc1
InChIInChI=1S/C25H33FN2O/c1-3-12-25(2,21-10-6-11-22(26)17-21)23-15-20(23)16-24(29)28-14-5-4-8-19-9-7-13-27-18-19/h6-7,9-11,13,17-18,20,23H,3-5,8,12,14-16H2,1-2H3,(H,28,29)/t20-,23?,25?/m0/s1
InChIKeyIQSALSAWTOAMDD-UPDUBSDMSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
CID 54241832
(E)-3-[1-[2-(4-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 23051372
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
3-[(1S)-2,2-bis(3-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 57188979
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45211424
4-(4-tert-butylphenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110616007
(2E,4Z)-5-(3-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 88605091
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
The IUPAC name of 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide (CID 18639418) is 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide.
What is the SMILES notation for 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
The canonical SMILES for 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide is CCCC(C)(c1cccc(F)c1)C1C[C@H]1CC(=O)NCCCCc1cccnc1.
What is the InChIKey of 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
The InChIKey is IQSALSAWTOAMDD-UPDUBSDMSA-N. The full InChI is InChI=1S/C25H33FN2O/c1-3-12-25(2,21-10-6-11-22(26)17-21)23-15-20(23)16-24(29)28-14-5-4-8-19-9-7-13-27-18-19/h6-7,9-11,13,17-18,20,23H,3-5,8,12,14-16H2,1-2H3,(H,28,29)/t20-,23?,25?/m0/s1.
What are the key properties of 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide has a molecular weight of 396.55 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide is sourced from PubChem (CID 18639418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).