1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide

C22H26FNO4 — CID 39966851

IUPAC1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc(OC)c1OC
InChIInChI=1S/C22H26FNO4/c1-26-18-11-15(12-19(27-2)20(18)28-3)14-24-21(25)22(9-4-5-10-22)16-7-6-8-17(23)13-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,24,25)
InChIKeyZJHVOQQCBMQNHY-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.98
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 39966851) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID39966851
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc(OC)c1OC
InChIInChI=1S/C22H26FNO4/c1-26-18-11-15(12-19(27-2)20(18)28-3)14-24-21(25)22(9-4-5-10-22)16-7-6-8-17(23)13-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,24,25)
InChIKeyZJHVOQQCBMQNHY-UHFFFAOYSA-N
XLogP3.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088
N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 78885986
1-(3-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55962305
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide
CID 166194047
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526240
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 55900607
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide (CID 39966851) is 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide is COc1cc(CNC(=O)C2(c3cccc(F)c3)CCCC2)cc(OC)c1OC.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is ZJHVOQQCBMQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-26-18-11-15(12-19(27-2)20(18)28-3)14-24-21(25)22(9-4-5-10-22)16-7-6-8-17(23)13-16/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,24,25).
What are the key properties of 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 39966851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).