N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide

C20H22FNO3 — CID 26364802

IUPACN-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1OC
InChIInChI=1S/C20H22FNO3/c1-24-17-9-8-16(13-18(17)25-2)22-19(23)20(10-3-4-11-20)14-6-5-7-15(21)12-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyACIMHENZOUUCEZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.29
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide

N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 26364802) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID26364802
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1OC
InChIInChI=1S/C20H22FNO3/c1-24-17-9-8-16(13-18(17)25-2)22-19(23)20(10-3-4-11-20)14-6-5-7-15(21)12-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyACIMHENZOUUCEZ-UHFFFAOYSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-(3-amino-4-methoxyphenyl)-4-(3-fluorophenyl)oxane-4-carboxamide
CID 119419472
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
N-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 2014049
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 32520661
N-[3-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55742350
N-(3-amino-4-methoxyphenyl)-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 119420235
N-(3-amino-4-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 119420158
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
methyl 2-[[3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzoyl]amino]acetate
CID 60556072
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674752

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide (CID 26364802) is N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is ACIMHENZOUUCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-24-17-9-8-16(13-18(17)25-2)22-19(23)20(10-3-4-11-20)14-6-5-7-15(21)12-14/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 26364802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).