(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone

C18H14BrNO — CID 10688487

IUPAC(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
SMILESCn1cc(-c2ccccc2)c(C(=O)c2ccccc2)c1Br
InChIInChI=1S/C18H14BrNO/c1-20-12-15(13-8-4-2-5-9-13)16(18(20)19)17(21)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRECCAILQLNVFLS-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.69
Rot. Bonds3

About (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone

(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone (PubChem CID 10688487) has the molecular formula C18H14BrNO and a molecular weight of 340.22 g/mol. Its IUPAC name is (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
PubChem CID10688487
Molecular FormulaC18H14BrNO
Molecular Weight340.22 g/mol
Exact Mass339.03
IUPAC Name(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
SMILESCn1cc(-c2ccccc2)c(C(=O)c2ccccc2)c1Br
InChIInChI=1S/C18H14BrNO/c1-20-12-15(13-8-4-2-5-9-13)16(18(20)19)17(21)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyRECCAILQLNVFLS-UHFFFAOYSA-N
XLogP4.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylsulfanyl-1,4-diphenylpyrrol-3-yl)-phenylmethanone
CID 102140254
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
1-(1-methyl-3-phenylindol-6-yl)ethanone
CID 59626112
5-benzoyl-1-methylpyrrole-3-carbaldehyde
CID 10822468
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
(4-hydroxy-9-methyl-2-phenylcarbazol-3-yl)-phenylmethanone
CID 155167929
diphenylmethanone;ethane
CID 158014879
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
diphenylmethanone
CID 3102
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
The IUPAC name of (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone (CID 10688487) is (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone is Cn1cc(-c2ccccc2)c(C(=O)c2ccccc2)c1Br.
What is the InChIKey of (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
The InChIKey is RECCAILQLNVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO/c1-20-12-15(13-8-4-2-5-9-13)16(18(20)19)17(21)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone?
(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone has a molecular weight of 340.22 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 10688487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).