1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide

C22H26Cl2N2O2 — CID 100771719

IUPAC1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1
InChIInChI=1S/C22H26Cl2N2O2/c1-3-13-28-20-10-9-19(15(2)25-20)26-21(27)22(11-5-4-6-12-22)17-8-7-16(23)14-18(17)24/h7-10,14H,3-6,11-13H2,1-2H3,(H,26,27)
InChIKeyCSBVCXJARBMPBX-UHFFFAOYSA-N
MW421.37 g/mol
LogP6.33
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide

1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 100771719) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID100771719
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1
InChIInChI=1S/C22H26Cl2N2O2/c1-3-13-28-20-10-9-19(15(2)25-20)26-21(27)22(11-5-4-6-12-22)17-8-7-16(23)14-18(17)24/h7-10,14H,3-6,11-13H2,1-2H3,(H,26,27)
InChIKeyCSBVCXJARBMPBX-UHFFFAOYSA-N
XLogP6.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770113
1-(2-fluorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771052
1-(2-chlorophenyl)-N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771590
1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100771786
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776979
1-ethoxy-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100776904
N-(6-ethoxy-2-methyl-3-pyridinyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100769710
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 100771758
1-(2,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771662
N-(6-butoxy-2-methyl-3-pyridinyl)-1-methoxycycloheptane-1-carboxamide
CID 100775270
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
1-(2-chlorophenyl)-N-(6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771541

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (CID 100771719) is 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is CSBVCXJARBMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-3-13-28-20-10-9-19(15(2)25-20)26-21(27)22(11-5-4-6-12-22)17-8-7-16(23)14-18(17)24/h7-10,14H,3-6,11-13H2,1-2H3,(H,26,27).
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 421.37 g/mol, XLogP of 6.33, 6 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-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100771719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).