N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C22H26FNO3 — CID 18198508

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C22H26FNO3/c1-15(19-14-18(26-2)9-10-20(19)27-3)24-21(25)22(11-4-5-12-22)16-7-6-8-17(23)13-16/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,25)
InChIKeyWNLWCUFSRFNLOH-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.53
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 18198508) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID18198508
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C22H26FNO3/c1-15(19-14-18(26-2)9-10-20(19)27-3)24-21(25)22(11-4-5-12-22)16-7-6-8-17(23)13-16/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,25)
InChIKeyWNLWCUFSRFNLOH-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55595601
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447690
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 2539147
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 51956623
[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 4538959
1-(3-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 39966851
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 18198508) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is COc1ccc(OC)c(C(C)NC(=O)C2(c3cccc(F)c3)CCCC2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is WNLWCUFSRFNLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-15(19-14-18(26-2)9-10-20(19)27-3)24-21(25)22(11-4-5-12-22)16-7-6-8-17(23)13-16/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 18198508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).