N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride

C20H23ClN2O — CID 154577828

IUPACN-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride
SMILESCl.NC1CC(NC(=O)c2ccccc2-c2ccccc2)C12CCC2
InChIInChI=1S/C20H22N2O.ClH/c21-17-13-18(20(17)11-6-12-20)22-19(23)16-10-5-4-9-15(16)14-7-2-1-3-8-14;/h1-5,7-10,17-18H,6,11-13,21H2,(H,22,23);1H
InChIKeySZLKANVVLUIQEE-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.78
Rot. Bonds3

About N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride

N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride (PubChem CID 154577828) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride
PubChem CID154577828
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride
SMILESCl.NC1CC(NC(=O)c2ccccc2-c2ccccc2)C12CCC2
InChIInChI=1S/C20H22N2O.ClH/c21-17-13-18(20(17)11-6-12-20)22-19(23)16-10-5-4-9-15(16)14-7-2-1-3-8-14;/h1-5,7-10,17-18H,6,11-13,21H2,(H,22,23);1H
InChIKeySZLKANVVLUIQEE-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride (CID 154577828) is N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride is Cl.NC1CC(NC(=O)c2ccccc2-c2ccccc2)C12CCC2.
What is the InChIKey of N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride?
The InChIKey is SZLKANVVLUIQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c21-17-13-18(20(17)11-6-12-20)22-19(23)16-10-5-4-9-15(16)14-7-2-1-3-8-14;/h1-5,7-10,17-18H,6,11-13,21H2,(H,22,23);1H.
What are the key properties of N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride?
N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminospiro[3.3]heptan-3-yl)-2-phenylbenzamide;hydrochloride is sourced from PubChem (CID 154577828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).