N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide

C22H23F4NO2 — CID 100745829

IUPACN-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C22H23F4NO2/c1-2-29-19-11-10-15(14-17(19)22(24,25)26)27-20(28)21(12-6-3-7-13-21)16-8-4-5-9-18(16)23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,27,28)
InChIKeyJZZJOXNNCZHAPE-UHFFFAOYSA-N
MW409.42 g/mol
LogP6.08
Rot. Bonds5

About N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide

N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 100745829) has the molecular formula C22H23F4NO2 and a molecular weight of 409.42 g/mol. Its IUPAC name is N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID100745829
Molecular FormulaC22H23F4NO2
Molecular Weight409.42 g/mol
Exact Mass409.17
IUPAC NameN-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C22H23F4NO2/c1-2-29-19-11-10-15(14-17(19)22(24,25)26)27-20(28)21(12-6-3-7-13-21)16-8-4-5-9-18(16)23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,27,28)
InChIKeyJZZJOXNNCZHAPE-UHFFFAOYSA-N
XLogP6.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663730
methyl 2-ethoxy-5-[[4-(2-fluorophenyl)oxane-4-carbonyl]amino]benzoate
CID 100748818
N-(4-butoxy-3-cyanophenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100720957
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-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673683
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide (CID 100745829) is N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide is CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is JZZJOXNNCZHAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4NO2/c1-2-29-19-11-10-15(14-17(19)22(24,25)26)27-20(28)21(12-6-3-7-13-21)16-8-4-5-9-18(16)23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,27,28).
What are the key properties of N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide?
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 409.42 g/mol, XLogP of 6.08, 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-(trifluoromethyl)phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100745829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).