3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride

C18H19ClN2O2 — CID 122183593

IUPAC3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2cccc3c2CC(=O)C(N)CC3)c1
InChIInChI=1S/C18H18N2O2.ClH/c19-16-8-7-11-3-2-6-14(15(11)10-17(16)21)12-4-1-5-13(9-12)18(20)22;/h1-6,9,16H,7-8,10,19H2,(H2,20,22);1H
InChIKeyZHSXUHSSCIZNLB-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.26
Rot. Bonds2

About 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride

3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride (PubChem CID 122183593) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride
PubChem CID122183593
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2cccc3c2CC(=O)C(N)CC3)c1
InChIInChI=1S/C18H18N2O2.ClH/c19-16-8-7-11-3-2-6-14(15(11)10-17(16)21)12-4-1-5-13(9-12)18(20)22;/h1-6,9,16H,7-8,10,19H2,(H2,20,22);1H
InChIKeyZHSXUHSSCIZNLB-UHFFFAOYSA-N
XLogP2.26
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride?
The IUPAC name of 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride (CID 122183593) is 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride?
The canonical SMILES for 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride is Cl.NC(=O)c1cccc(-c2cccc3c2CC(=O)C(N)CC3)c1.
What is the InChIKey of 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride?
The InChIKey is ZHSXUHSSCIZNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2.ClH/c19-16-8-7-11-3-2-6-14(15(11)10-17(16)21)12-4-1-5-13(9-12)18(20)22;/h1-6,9,16H,7-8,10,19H2,(H2,20,22);1H.
What are the key properties of 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride?
3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 122183593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).