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

C26H26F2N2O — CID 54241832

IUPAC2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
SMILESO=C(C[C@@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1)NCCCCc1cccnc1
InChIInChI=1S/C26H26F2N2O/c27-23-10-6-20(7-11-23)26(21-8-12-24(28)13-9-21)17-22(26)16-25(31)30-15-2-1-4-19-5-3-14-29-18-19/h3,5-14,18,22H,1-2,4,15-17H2,(H,30,31)/t22-/m1/s1
InChIKeyQQOIGHLFIAQTDQ-JOCHJYFZSA-N
MW420.50 g/mol
LogP5.20
Rot. Bonds9

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

2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide (PubChem CID 54241832) has the molecular formula C26H26F2N2O and a molecular weight of 420.50 g/mol. Its IUPAC name is 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
PubChem CID54241832
Molecular FormulaC26H26F2N2O
Molecular Weight420.50 g/mol
Exact Mass420.20
IUPAC Name2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
SMILESO=C(C[C@@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1)NCCCCc1cccnc1
InChIInChI=1S/C26H26F2N2O/c27-23-10-6-20(7-11-23)26(21-8-12-24(28)13-9-21)17-22(26)16-25(31)30-15-2-1-4-19-5-3-14-29-18-19/h3,5-14,18,22H,1-2,4,15-17H2,(H,30,31)/t22-/m1/s1
InChIKeyQQOIGHLFIAQTDQ-JOCHJYFZSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.50
LogP ≤ 55.20
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

3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)propanamide
CID 15017990
(E)-3-(2,2-diphenylcyclopropyl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 14347611
3-[(1S)-2,2-bis(3-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 57188979
3-methyl-N-(4-pyridin-3-ylbutyl)butanamide
CID 110661269
2,2-bis(3,4-dimethoxyphenyl)-N-(4-pyridin-3-ylbutyl)cyclopropane-1-carboxamide
CID 23051246
2-[(1S)-2-[2-(3-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
CID 18639418
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide
CID 102611828
(E)-3-[1-[2-(4-fluorophenyl)pentan-2-yl]cyclopropyl]-N-(4-pyridin-3-ylbutyl)prop-2-enamide
CID 23051372
1-(4-fluorophenyl)-N-(4-pyridin-3-ylbutyl)methanesulfonamide
CID 110661344
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
The IUPAC name of 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide (CID 54241832) is 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide.
What is the SMILES notation for 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
The canonical SMILES for 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide is O=C(C[C@@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1)NCCCCc1cccnc1.
What is the InChIKey of 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
The InChIKey is QQOIGHLFIAQTDQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H26F2N2O/c27-23-10-6-20(7-11-23)26(21-8-12-24(28)13-9-21)17-22(26)16-25(31)30-15-2-1-4-19-5-3-14-29-18-19/h3,5-14,18,22H,1-2,4,15-17H2,(H,30,31)/t22-/m1/s1.
What are the key properties of 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide?
2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide has a molecular weight of 420.50 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide is sourced from PubChem (CID 54241832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).