N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C21H24FNO3 — CID 55595601

IUPACN-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)c(OC)c1
InChIInChI=1S/C21H24FNO3/c1-25-18-9-8-15(19(13-18)26-2)14-23-20(24)21(10-3-4-11-21)16-6-5-7-17(22)12-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,24)
InChIKeyHMNLCEYKFFIKPR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.97
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 55595601) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID55595601
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)c(OC)c1
InChIInChI=1S/C21H24FNO3/c1-25-18-9-8-15(19(13-18)26-2)14-23-20(24)21(10-3-4-11-21)16-6-5-7-17(22)12-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,24)
InChIKeyHMNLCEYKFFIKPR-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 18198508
N-[(2,4-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]oxane-4-carboxamide
CID 139010634
1-(3-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 56524254
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 4538959
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 55595601) is N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is COc1ccc(CNC(=O)C2(c3cccc(F)c3)CCCC2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is HMNLCEYKFFIKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-25-18-9-8-15(19(13-18)26-2)14-23-20(24)21(10-3-4-11-21)16-6-5-7-17(22)12-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55595601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).