N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide

C22H22N2O3 — CID 168517830

IUPACN-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N2O3/c25-20(23-15-9-3-1-2-4-10-15)18-13-7-8-14-19(18)24-21(26)16-11-5-6-12-17(16)22(24)27/h5-8,11-15H,1-4,9-10H2,(H,23,25)
InChIKeyUKPFLKJZQFZRKF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.94
Rot. Bonds3

About N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide

N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide (PubChem CID 168517830) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
PubChem CID168517830
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
SMILESO=C(NC1CCCCCC1)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H22N2O3/c25-20(23-15-9-3-1-2-4-10-15)18-13-7-8-14-19(18)24-21(26)16-11-5-6-12-17(16)22(24)27/h5-8,11-15H,1-4,9-10H2,(H,23,25)
InChIKeyUKPFLKJZQFZRKF-UHFFFAOYSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide?
The IUPAC name of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide (CID 168517830) is N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide.
What is the SMILES notation for N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide?
The canonical SMILES for N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide is O=C(NC1CCCCCC1)c1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide?
The InChIKey is UKPFLKJZQFZRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-20(23-15-9-3-1-2-4-10-15)18-13-7-8-14-19(18)24-21(26)16-11-5-6-12-17(16)22(24)27/h5-8,11-15H,1-4,9-10H2,(H,23,25).
What are the key properties of N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide?
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide is sourced from PubChem (CID 168517830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).