7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C17H17BrClNO — CID 56678988

IUPAC7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(-c3ccccc3)ccc(Br)c2CC1=O
InChIInChI=1S/C17H16BrNO.ClH/c18-15-8-6-12(11-4-2-1-3-5-11)13-7-9-16(19)17(20)10-14(13)15;/h1-6,8,16H,7,9-10,19H2;1H
InChIKeyBENWNJKEKQTLAV-UHFFFAOYSA-N
MW366.69 g/mol
LogP3.92
Rot. Bonds1

About 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 56678988) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID56678988
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.NC1CCc2c(-c3ccccc3)ccc(Br)c2CC1=O
InChIInChI=1S/C17H16BrNO.ClH/c18-15-8-6-12(11-4-2-1-3-5-11)13-7-9-16(19)17(20)10-14(13)15;/h1-6,8,16H,7,9-10,19H2;1H
InChIKeyBENWNJKEKQTLAV-UHFFFAOYSA-N
XLogP3.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 56678988) is 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.NC1CCc2c(-c3ccccc3)ccc(Br)c2CC1=O.
What is the InChIKey of 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is BENWNJKEKQTLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO.ClH/c18-15-8-6-12(11-4-2-1-3-5-11)13-7-9-16(19)17(20)10-14(13)15;/h1-6,8,16H,7,9-10,19H2;1H.
What are the key properties of 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 366.69 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-bromo-1-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 56678988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).