N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide

C21H24FNO3 — CID 2230918

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(F)cc3)CCCC2)cc1OC
InChIInChI=1S/C21H24FNO3/c1-25-18-10-7-16(13-19(18)26-2)21(11-3-4-12-21)14-23-20(24)15-5-8-17(22)9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,24)
InChIKeyYCXFBLODLLHKTF-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.08
Rot. Bonds6

About N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide (PubChem CID 2230918) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide
PubChem CID2230918
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(F)cc3)CCCC2)cc1OC
InChIInChI=1S/C21H24FNO3/c1-25-18-10-7-16(13-19(18)26-2)21(11-3-4-12-21)14-23-20(24)15-5-8-17(22)9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,24)
InChIKeyYCXFBLODLLHKTF-UHFFFAOYSA-N
XLogP4.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide (CID 2230918) is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide is COc1ccc(C2(CNC(=O)c3ccc(F)cc3)CCCC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide?
The InChIKey is YCXFBLODLLHKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-25-18-10-7-16(13-19(18)26-2)21(11-3-4-12-21)14-23-20(24)15-5-8-17(22)9-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,24).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide has a molecular weight of 357.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 2230918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).