4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide

C21H22FNO2 — CID 138674464

IUPAC4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)NC12CC(O)(C1)C2
InChIInChI=1S/C21H22FNO2/c22-18-6-2-1-5-17(18)16-10-8-15(9-11-16)4-3-7-19(24)23-20-12-21(25,13-20)14-20/h1-2,5-6,8-11,25H,3-4,7,12-14H2,(H,23,24)
InChIKeyMOETYDFLMQQXMO-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.60
Rot. Bonds6

About 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide

4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide (PubChem CID 138674464) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
PubChem CID138674464
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide
SMILESO=C(CCCc1ccc(-c2ccccc2F)cc1)NC12CC(O)(C1)C2
InChIInChI=1S/C21H22FNO2/c22-18-6-2-1-5-17(18)16-10-8-15(9-11-16)4-3-7-19(24)23-20-12-21(25,13-20)14-20/h1-2,5-6,8-11,25H,3-4,7,12-14H2,(H,23,24)
InChIKeyMOETYDFLMQQXMO-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
4-[4-(2-fluorophenyl)phenyl]-N-(furan-2-yl)butanamide
CID 139380465
4-[4-(2-fluorophenyl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674351
1-cyclopropyl-6-[4-(2-fluorophenyl)phenyl]hexan-3-one
CID 157389572
5-[4-(2-fluorophenyl)phenyl]-1-(4-hydroxyphenyl)pentan-2-one
CID 158114835
6-[4-(2-fluorophenyl)phenyl]-1-(4-methoxyphenyl)hexan-3-one
CID 161222823
3-[4-(2-fluorophenyl)phenyl]propanal
CID 57240259
5-[4-(2-fluorophenyl)phenyl]-1-(furan-2-yl)pentan-2-one
CID 157494437
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
CID 138674577
2-[2-[4-(2-fluorophenyl)phenyl]ethyl]propane-1,3-diol
CID 145126379
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
1,4-bis(2-fluorophenyl)benzene
CID 58121760

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide?
The IUPAC name of 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide (CID 138674464) is 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide.
What is the SMILES notation for 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide?
The canonical SMILES for 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide is O=C(CCCc1ccc(-c2ccccc2F)cc1)NC12CC(O)(C1)C2.
What is the InChIKey of 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide?
The InChIKey is MOETYDFLMQQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c22-18-6-2-1-5-17(18)16-10-8-15(9-11-16)4-3-7-19(24)23-20-12-21(25,13-20)14-20/h1-2,5-6,8-11,25H,3-4,7,12-14H2,(H,23,24).
What are the key properties of 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide?
4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide has a molecular weight of 339.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)phenyl]-N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)butanamide is sourced from PubChem (CID 138674464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).