4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide

C18H18BrNO — CID 23509717

IUPAC4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
SMILESO=C(NC1CCCc2ccccc2C1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO/c19-16-10-8-14(9-11-16)18(21)20-17-7-3-6-13-4-1-2-5-15(13)12-17/h1-2,4-5,8-11,17H,3,6-7,12H2,(H,20,21)
InChIKeyOJUPDZYUILDTNG-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.13
Rot. Bonds2

About 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide

4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide (PubChem CID 23509717) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
PubChem CID23509717
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
SMILESO=C(NC1CCCc2ccccc2C1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrNO/c19-16-10-8-14(9-11-16)18(21)20-17-7-3-6-13-4-1-2-5-15(13)12-17/h1-2,4-5,8-11,17H,3,6-7,12H2,(H,20,21)
InChIKeyOJUPDZYUILDTNG-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
CID 68791499
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
CID 62953418
3-(methanesulfonamido)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]benzamide
CID 68792799
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The IUPAC name of 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide (CID 23509717) is 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The canonical SMILES for 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide is O=C(NC1CCCc2ccccc2C1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
The InChIKey is OJUPDZYUILDTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-16-10-8-14(9-11-16)18(21)20-17-7-3-6-13-4-1-2-5-15(13)12-17/h1-2,4-5,8-11,17H,3,6-7,12H2,(H,20,21).
What are the key properties of 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide?
4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide has a molecular weight of 344.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide is sourced from PubChem (CID 23509717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).