2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide

C23H25ClN2O2 — CID 15989042

IUPAC2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C23H25ClN2O2/c24-20-14-8-5-9-16(20)15-26-21(18-12-6-7-13-19(18)23(26)28)22(27)25-17-10-3-1-2-4-11-17/h5-9,12-14,17,21H,1-4,10-11,15H2,(H,25,27)
InChIKeyAXCWPBZXMYTBTQ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.88
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide

2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 15989042) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
PubChem CID15989042
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C23H25ClN2O2/c24-20-14-8-5-9-16(20)15-26-21(18-12-6-7-13-19(18)23(26)28)22(27)25-17-10-3-1-2-4-11-17/h5-9,12-14,17,21H,1-4,10-11,15H2,(H,25,27)
InChIKeyAXCWPBZXMYTBTQ-UHFFFAOYSA-N
XLogP4.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide (CID 15989042) is 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide is O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is AXCWPBZXMYTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-20-14-8-5-9-16(20)15-26-21(18-12-6-7-13-19(18)23(26)28)22(27)25-17-10-3-1-2-4-11-17/h5-9,12-14,17,21H,1-4,10-11,15H2,(H,25,27).
What are the key properties of 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide?
2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-N-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 15989042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).