N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide

C17H14BrNO — CID 10359124

IUPACN-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide
SMILESO=C(NC1=Cc2ccc(Br)cc2CC1)c1ccccc1
InChIInChI=1S/C17H14BrNO/c18-15-8-6-14-11-16(9-7-13(14)10-15)19-17(20)12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2,(H,19,20)
InChIKeyHRZOGEHMHDOASG-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.17
Rot. Bonds2

About N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide

N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide (PubChem CID 10359124) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide
PubChem CID10359124
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC NameN-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide
SMILESO=C(NC1=Cc2ccc(Br)cc2CC1)c1ccccc1
InChIInChI=1S/C17H14BrNO/c18-15-8-6-14-11-16(9-7-13(14)10-15)19-17(20)12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2,(H,19,20)
InChIKeyHRZOGEHMHDOASG-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide?
The IUPAC name of N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide (CID 10359124) is N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide.
What is the SMILES notation for N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide?
The canonical SMILES for N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide is O=C(NC1=Cc2ccc(Br)cc2CC1)c1ccccc1.
What is the InChIKey of N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide?
The InChIKey is HRZOGEHMHDOASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c18-15-8-6-14-11-16(9-7-13(14)10-15)19-17(20)12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2,(H,19,20).
What are the key properties of N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide?
N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide has a molecular weight of 328.21 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 10359124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).