N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

C22H19N3O3 — CID 26289841

IUPACN-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C22H19N3O3/c23-13-14-6-9-16(10-7-14)24-20(26)15-8-11-18-19(12-15)22(28)25(21(18)27)17-4-2-1-3-5-17/h6-12,17H,1-5H2,(H,24,26)
InChIKeyUCPBIEJRYLAFDB-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.74
Rot. Bonds3

About N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26289841) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID26289841
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C22H19N3O3/c23-13-14-6-9-16(10-7-14)24-20(26)15-8-11-18-19(12-15)22(28)25(21(18)27)17-4-2-1-3-5-17/h6-12,17H,1-5H2,(H,24,26)
InChIKeyUCPBIEJRYLAFDB-UHFFFAOYSA-N
XLogP3.74
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 39280369
2-cyclohexyl-N-[4-(difluoromethoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 8502606
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360
2-cyclohexyl-1,3-dioxo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]isoindole-5-carboxamide
CID 108933259
2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 39033368
3-(4-cyanophenyl)-N-(4-cyclohexylphenyl)-4-methylbenzamide
CID 24775931
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
N-(4-cyanophenyl)-5-methyl-11-oxo-6,7,8,9-tetrahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
CID 87054039
2-cyclohexyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119450760
2-cyclohexyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 1369561
[4-[(2-cyclohexyl-1,3-dioxoisoindol-5-yl)carbamoyl]phenyl] propanoate
CID 2221764
N-(5-bromo-2-pyridinyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 29260312

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (CID 26289841) is N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is N#Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is UCPBIEJRYLAFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c23-13-14-6-9-16(10-7-14)24-20(26)15-8-11-18-19(12-15)22(28)25(21(18)27)17-4-2-1-3-5-17/h6-12,17H,1-5H2,(H,24,26).
What are the key properties of N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26289841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).