1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide

C22H23ClN2O2 — CID 100746676

IUPAC1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1
InChIInChI=1S/C22H23ClN2O2/c1-2-27-19-10-11-20(16(14-19)15-24)25-21(26)22(12-4-3-5-13-22)17-6-8-18(23)9-7-17/h6-11,14H,2-5,12-13H2,1H3,(H,25,26)
InChIKeyNOJBGPDDXMDXGV-UHFFFAOYSA-N
MW382.89 g/mol
LogP5.45
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide

1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 100746676) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
PubChem CID100746676
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1
InChIInChI=1S/C22H23ClN2O2/c1-2-27-19-10-11-20(16(14-19)15-24)25-21(26)22(12-4-3-5-13-22)17-6-8-18(23)9-7-17/h6-11,14H,2-5,12-13H2,1H3,(H,25,26)
InChIKeyNOJBGPDDXMDXGV-UHFFFAOYSA-N
XLogP5.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-propoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100747593
4-(4-chlorophenyl)-N-(2-cyano-4-propoxyphenyl)oxane-4-carboxamide
CID 100749727
N-(4-butoxy-2-cyanophenyl)-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744352
N-(2-cyano-4-ethoxyphenyl)-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100748199
1-(4-chlorophenyl)-N-(2,5-diethoxyphenyl)cyclopropane-1-carboxamide
CID 112765724
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100744362
N-(2-cyano-4-methoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100721529
N-(4-butoxy-2-cyanophenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745418
N-[2-cyano-4-(2-methylpropoxy)phenyl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743914
N-(4-butoxy-3-cyanophenyl)-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 100722065
[3-cyano-4-[[1-(4-nitrophenyl)cyclopentanecarbonyl]amino]phenyl] acetate
CID 100719496
N-(4-butoxy-2-cyanophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 100750267

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide (CID 100746676) is 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide is CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is NOJBGPDDXMDXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-2-27-19-10-11-20(16(14-19)15-24)25-21(26)22(12-4-3-5-13-22)17-6-8-18(23)9-7-17/h6-11,14H,2-5,12-13H2,1H3,(H,25,26).
What are the key properties of 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide?
1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 382.89 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-cyano-4-ethoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100746676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).