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

C22H25Cl2NO2 — CID 100668010

IUPAC1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
SMILESCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C
InChIInChI=1S/C22H25Cl2NO2/c1-4-27-20-14(2)11-17(12-15(20)3)25-21(26)22(9-5-6-10-22)18-8-7-16(23)13-19(18)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26)
InChIKeyFETHGRASICJIEJ-UHFFFAOYSA-N
MW406.35 g/mol
LogP6.46
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide (PubChem CID 100668010) has the molecular formula C22H25Cl2NO2 and a molecular weight of 406.35 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
PubChem CID100668010
Molecular FormulaC22H25Cl2NO2
Molecular Weight406.35 g/mol
Exact Mass405.13
IUPAC Name1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
SMILESCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C
InChIInChI=1S/C22H25Cl2NO2/c1-4-27-20-14(2)11-17(12-15(20)3)25-21(26)22(9-5-6-10-22)18-8-7-16(23)13-19(18)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26)
InChIKeyFETHGRASICJIEJ-UHFFFAOYSA-N
XLogP6.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.35
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663730
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 100771758
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
CID 100686130
ethyl 2-butoxy-5-[[1-(2,4-dichlorophenyl)cyclopentanecarbonyl]amino]benzoate
CID 100743761
1-(2,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771662
1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100677257
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743841
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 133188311
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide (CID 100668010) is 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide is CCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide?
The InChIKey is FETHGRASICJIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO2/c1-4-27-20-14(2)11-17(12-15(20)3)25-21(26)22(9-5-6-10-22)18-8-7-16(23)13-19(18)24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,25,26).
What are the key properties of 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide has a molecular weight of 406.35 g/mol, XLogP of 6.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100668010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).