N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide

C20H20Cl3NO2 — CID 100668194

IUPACN-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1Cl
InChIInChI=1S/C20H20Cl3NO2/c1-2-26-18-8-6-14(12-17(18)23)24-19(25)20(9-3-4-10-20)15-7-5-13(21)11-16(15)22/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,25)
InChIKeyYAAZZAUFTCRJSX-UHFFFAOYSA-N
MW412.74 g/mol
LogP6.50
Rot. Bonds5

About N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide

N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide (PubChem CID 100668194) has the molecular formula C20H20Cl3NO2 and a molecular weight of 412.74 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
PubChem CID100668194
Molecular FormulaC20H20Cl3NO2
Molecular Weight412.74 g/mol
Exact Mass411.06
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1Cl
InChIInChI=1S/C20H20Cl3NO2/c1-2-26-18-8-6-14(12-17(18)23)24-19(25)20(9-3-4-10-20)15-7-5-13(21)11-16(15)22/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,25)
InChIKeyYAAZZAUFTCRJSX-UHFFFAOYSA-N
XLogP6.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.74
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
ethyl 2-butoxy-5-[[1-(2,4-dichlorophenyl)cyclopentanecarbonyl]amino]benzoate
CID 100743761
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
1-(4-chlorophenyl)-N-(3-chloro-4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100675916
N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743841
methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100747148
4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
CID 100686130
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029
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
ethyl 5-[[4-(2,4-dichlorophenyl)oxane-4-carbonyl]amino]-2-propoxybenzoate
CID 100749887
N-[3-chloro-4-(1-methoxypropan-2-yloxy)phenyl]-4-(2,4-dichlorophenyl)oxane-4-carboxamide
CID 133245793

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide (CID 100668194) is N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide is CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is YAAZZAUFTCRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3NO2/c1-2-26-18-8-6-14(12-17(18)23)24-19(25)20(9-3-4-10-20)15-7-5-13(21)11-16(15)22/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,25).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide?
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 412.74 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100668194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).