1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one

C18H12BrNO — CID 63459019

IUPAC1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1cccc(Br)c1
InChIInChI=1S/C18H12BrNO/c19-14-7-1-4-12(10-14)11-20-16-9-3-6-13-5-2-8-15(17(13)16)18(20)21/h1-10H,11H2
InChIKeyPWMKDRFKKUEQIN-UHFFFAOYSA-N
MW338.20 g/mol
LogP4.76
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one

1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one (PubChem CID 63459019) has the molecular formula C18H12BrNO and a molecular weight of 338.20 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
PubChem CID63459019
Molecular FormulaC18H12BrNO
Molecular Weight338.20 g/mol
Exact Mass337.01
IUPAC Name1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1cccc(Br)c1
InChIInChI=1S/C18H12BrNO/c19-14-7-1-4-12(10-14)11-20-16-9-3-6-13-5-2-8-15(17(13)16)18(20)21/h1-10H,11H2
InChIKeyPWMKDRFKKUEQIN-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
CID 65491106
1-(pyridin-3-ylmethyl)benzo[cd]indol-2-one
CID 15023400
1-[(5-bromo-2-pyridinyl)methyl]benzo[cd]indol-2-one
CID 104809117
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
1-[3-(2-oxobenzo[cd]indol-1-yl)propyl]benzo[cd]indol-2-one
CID 15023408
2-[(3-bromophenyl)methyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133194646
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
1-[[2-(aminomethyl)phenyl]methyl]benzo[cd]indol-2-one
CID 24692767
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
(2R)-2-[(3-bromophenyl)methyl-[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]-N-butylpropanamide
CID 100568919
1-[(2,5-dimethylpyrazol-3-yl)methyl]benzo[cd]indol-2-one
CID 116619012
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
CID 61410415

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one (CID 63459019) is 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one?
The InChIKey is PWMKDRFKKUEQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO/c19-14-7-1-4-12(10-14)11-20-16-9-3-6-13-5-2-8-15(17(13)16)18(20)21/h1-10H,11H2.
What are the key properties of 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one?
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one has a molecular weight of 338.20 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 63459019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).