1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide

C23H28Cl2N2O2 — CID 100677257

IUPAC1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1
InChIInChI=1S/C23H28Cl2N2O2/c1-27(2)14-15-29-19-9-7-18(8-10-19)26-22(28)23(12-4-3-5-13-23)20-11-6-17(24)16-21(20)25/h6-11,16H,3-5,12-15H2,1-2H3,(H,26,28)
InChIKeyXYTMALNCOVHBFW-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.77
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide

1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 100677257) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
PubChem CID100677257
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1
InChIInChI=1S/C23H28Cl2N2O2/c1-27(2)14-15-29-19-9-7-18(8-10-19)26-22(28)23(12-4-3-5-13-23)20-11-6-17(24)16-21(20)25/h6-11,16H,3-5,12-15H2,1-2H3,(H,26,28)
InChIKeyXYTMALNCOVHBFW-UHFFFAOYSA-N
XLogP5.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100666490
1-(2,4-dichlorophenyl)-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 100667622
1-(2,4-dichlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133194312
4-(2,4-dichlorophenyl)-N-[4-[3-(diethylamino)propoxy]phenyl]oxane-4-carboxamide
CID 100686480
4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)oxane-4-carboxamide
CID 100686130
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
4-(2,4-dichlorophenyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]oxane-4-carboxamide
CID 100686326
4-(2,4-dichlorophenyl)-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100686497
1-(2,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771662
4-(2,4-dichlorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100686190
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 100771758

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide (CID 100677257) is 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide is CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide?
The InChIKey is XYTMALNCOVHBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-27(2)14-15-29-19-9-7-18(8-10-19)26-22(28)23(12-4-3-5-13-23)20-11-6-17(24)16-21(20)25/h6-11,16H,3-5,12-15H2,1-2H3,(H,26,28).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 435.40 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100677257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).