N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide

C22H26FNO2 — CID 100663730

IUPACN-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C
InChIInChI=1S/C22H26FNO2/c1-4-26-20-15(2)13-17(14-16(20)3)24-21(25)22(11-7-8-12-22)18-9-5-6-10-19(18)23/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,24,25)
InChIKeyVOVKRTZXKOTPGD-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.29
Rot. Bonds5

About N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide

N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 100663730) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID100663730
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC NameN-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
SMILESCCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C
InChIInChI=1S/C22H26FNO2/c1-4-26-20-15(2)13-17(14-16(20)3)24-21(25)22(11-7-8-12-22)18-9-5-6-10-19(18)23/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,24,25)
InChIKeyVOVKRTZXKOTPGD-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663768
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673683
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100745829
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
1-(2-fluorophenyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100672872
2-[2-fluoro-4-[[1-(2-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetic acid
CID 122110125
N-(4-butoxy-3,5-dimethylphenyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100661062
methyl 2-ethoxy-5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748818

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide (CID 100663730) is N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide is CCOc1c(C)cc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C.
What is the InChIKey of N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is VOVKRTZXKOTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-4-26-20-15(2)13-17(14-16(20)3)24-21(25)22(11-7-8-12-22)18-9-5-6-10-19(18)23/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,24,25).
What are the key properties of N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide?
N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100663730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).