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

C21H23ClN2O2 — CID 122183595

IUPAC3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NC1CCc2cccc(-c3cccc(C(=O)NC4CC4)c3)c2CC1=O
InChIInChI=1S/C21H22N2O2.ClH/c22-19-10-7-13-3-2-6-17(18(13)12-20(19)24)14-4-1-5-15(11-14)21(25)23-16-8-9-16;/h1-6,11,16,19H,7-10,12,22H2,(H,23,25);1H
InChIKeyRGZJHAMUJURVBR-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.05
Rot. Bonds3

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

3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride (PubChem CID 122183595) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride
PubChem CID122183595
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride
SMILESCl.NC1CCc2cccc(-c3cccc(C(=O)NC4CC4)c3)c2CC1=O
InChIInChI=1S/C21H22N2O2.ClH/c22-19-10-7-13-3-2-6-17(18(13)12-20(19)24)14-4-1-5-15(11-14)21(25)23-16-8-9-16;/h1-6,11,16,19H,7-10,12,22H2,(H,23,25);1H
InChIKeyRGZJHAMUJURVBR-UHFFFAOYSA-N
XLogP3.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.05
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)-N-cyclopropylbenzamide;hydrochloride?
The IUPAC name of 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride (CID 122183595) is 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride.
What is the SMILES notation for 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride?
The canonical SMILES for 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride is Cl.NC1CCc2cccc(-c3cccc(C(=O)NC4CC4)c3)c2CC1=O.
What is the InChIKey of 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride?
The InChIKey is RGZJHAMUJURVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2.ClH/c22-19-10-7-13-3-2-6-17(18(13)12-20(19)24)14-4-1-5-15(11-14)21(25)23-16-8-9-16;/h1-6,11,16,19H,7-10,12,22H2,(H,23,25);1H.
What are the key properties of 3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride?
3-(7-amino-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-4-yl)-N-cyclopropylbenzamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.05, 3 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)-N-cyclopropylbenzamide;hydrochloride is sourced from PubChem (CID 122183595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).