1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide

C26H27Cl2NO2 — CID 100747375

IUPAC1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2ccccc12
InChIInChI=1S/C26H27Cl2NO2/c1-17(2)31-24-13-12-23(19-8-4-5-9-20(19)24)29-25(30)26(14-6-3-7-15-26)21-11-10-18(27)16-22(21)28/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,29,30)
InChIKeyRUBDQMOLYPOVJG-UHFFFAOYSA-N
MW456.41 g/mol
LogP7.77
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide

1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide (PubChem CID 100747375) has the molecular formula C26H27Cl2NO2 and a molecular weight of 456.41 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
PubChem CID100747375
Molecular FormulaC26H27Cl2NO2
Molecular Weight456.41 g/mol
Exact Mass455.14
IUPAC Name1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2ccccc12
InChIInChI=1S/C26H27Cl2NO2/c1-17(2)31-24-13-12-23(19-8-4-5-9-20(19)24)29-25(30)26(14-6-3-7-15-26)21-11-10-18(27)16-22(21)28/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,29,30)
InChIKeyRUBDQMOLYPOVJG-UHFFFAOYSA-N
XLogP7.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.41
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100749545
4-(2-fluorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100748983
1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100771786
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429
1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100667929
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
methyl 5-[[1-(2,4-dichlorophenyl)cyclohexanecarbonyl]amino]-2-methoxybenzoate
CID 100747148
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
N-[2-cyano-4-(2-methylpropoxy)phenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743914
1-(4-chlorophenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclopropane-1-carboxamide
CID 100782430

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide (CID 100747375) is 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide is CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2ccccc12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The InChIKey is RUBDQMOLYPOVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2NO2/c1-17(2)31-24-13-12-23(19-8-4-5-9-20(19)24)29-25(30)26(14-6-3-7-15-26)21-11-10-18(27)16-22(21)28/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,29,30).
What are the key properties of 1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide has a molecular weight of 456.41 g/mol, XLogP of 7.77, 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-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100747375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).