4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide

C19H26Cl2N2O — CID 6291854

IUPAC4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide
SMILESC/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H26Cl2N2O/c1-12(14-7-10-16(20)17(21)11-14)22-23-18(24)13-5-8-15(9-6-13)19(2,3)4/h7,10-11,13,15H,5-6,8-9H2,1-4H3,(H,23,24)/b22-12-
InChIKeyPXIODMFKRBXUAM-UUYOSTAYSA-N
MW369.34 g/mol
LogP5.69
Rot. Bonds3

About 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide

4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide (PubChem CID 6291854) has the molecular formula C19H26Cl2N2O and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide
PubChem CID6291854
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.34 g/mol
Exact Mass368.14
IUPAC Name4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide
SMILESC/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H26Cl2N2O/c1-12(14-7-10-16(20)17(21)11-14)22-23-18(24)13-5-8-15(9-6-13)19(2,3)4/h7,10-11,13,15H,5-6,8-9H2,1-4H3,(H,23,24)/b22-12-
InChIKeyPXIODMFKRBXUAM-UUYOSTAYSA-N
XLogP5.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
CID 120990
N'-[(1E)-1-(4-chlorophenyl)ethylidene]cyclopentanecarbohydrazide
CID 25237608
N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]cyclopentanecarbohydrazide
CID 25237609
N'-[1-(3,4-dichlorophenyl)ethylidene]cyclopropanecarbohydrazide
CID 9563500
4-(4-chlorophenyl)-6-(3-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3543116
4-(3-chlorophenyl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3742146
6-(4-chlorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 3813527
6-(4-chlorophenyl)-4-(4-methylphenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 5182021
N'-[1-(4-chlorophenyl)ethylidene]hexanohydrazide
CID 5720765
trans-(1R,2R)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7329455
trans-(1R,2R)-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 9694171
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 25753477

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide (CID 6291854) is 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide is C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide?
The InChIKey is PXIODMFKRBXUAM-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O/c1-12(14-7-10-16(20)17(21)11-14)22-23-18(24)13-5-8-15(9-6-13)19(2,3)4/h7,10-11,13,15H,5-6,8-9H2,1-4H3,(H,23,24)/b22-12-.
What are the key properties of 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide?
4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 6291854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).