4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C17H16BrNO — CID 4187968

IUPAC4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,19,20)
InChIKeyUCIBMSAANIUDJP-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.26
Rot. Bonds2

About 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 4187968) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID4187968
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C17H16BrNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,19,20)
InChIKeyUCIBMSAANIUDJP-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bromadoline
CID 54753
N-{2-[4-(1,2,3,4-Tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-ethyl}-benzamide
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(1S,13R)-N-[2-(4-bromophenyl)ethyl]-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 16048866
3-bromo-N-(4-phenylbutyl)benzamide
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n-Benzyl-4-bromobenzamide
CID 781117
3-bromo-N-(3-phenylpropyl)benzamide
CID 2169887
2-bromo-N-(2-phenylethyl)benzamide
CID 673840
7-Bromo-3,4-dihydroisoquinolin-1(2H)-one
CID 25067330
N-(1-(3-bromobenzyl)piperidin-4-yl)-2-naphthamide
CID 16725931
N-(1-(3-bromobenzyl)piperidin-4-yl)-1-naphthamide
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N-(1-(4-bromobenzyl)piperidin-4-yl)-2-naphthamide
CID 44431481

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 4187968) is 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is UCIBMSAANIUDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-14-10-8-13(9-11-14)17(20)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11,16H,3,5,7H2,(H,19,20).
What are the key properties of 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 330.23 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 4187968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).