(5-bromo-2-methylindol-1-yl)-phenylmethanone

C16H12BrNO — CID 67901223

IUPAC(5-bromo-2-methylindol-1-yl)-phenylmethanone
SMILESCc1cc2cc(Br)ccc2n1C(=O)c1ccccc1
InChIInChI=1S/C16H12BrNO/c1-11-9-13-10-14(17)7-8-15(13)18(11)16(19)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyYHTLOVVZVHBVNF-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.40
Rot. Bonds1

About (5-bromo-2-methylindol-1-yl)-phenylmethanone

(5-bromo-2-methylindol-1-yl)-phenylmethanone (PubChem CID 67901223) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is (5-bromo-2-methylindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-bromo-2-methylindol-1-yl)-phenylmethanone
PubChem CID67901223
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name(5-bromo-2-methylindol-1-yl)-phenylmethanone
SMILESCc1cc2cc(Br)ccc2n1C(=O)c1ccccc1
InChIInChI=1S/C16H12BrNO/c1-11-9-13-10-14(17)7-8-15(13)18(11)16(19)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyYHTLOVVZVHBVNF-UHFFFAOYSA-N
XLogP4.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[acetyloxy(phenyl)methyl] acetate;(5-methoxy-2-methylindol-1-yl)-phenylmethanone
CID 70620919
N-methyl-N-[2-[4-(2-methylindole-1-carbonyl)phenoxy]ethyl]benzamide
CID 141042895
5-bromo-2-(4-fluoro-3-methylphenyl)indole-1-carboxylic acid
CID 150698463
5-fluoro-2-methylindole-1-carboxylic acid
CID 68895008
(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217
tert-butyl 3-(6-bromo-2-oxoquinolin-1-yl)-2-methyl-3-phenylprop-2-enoate
CID 168873498
(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone
CID 71560087
methyl 1-benzoyl-5-bromoindazole-3-carboxylate
CID 71819101
2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072027
1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
CID 155205410
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
3-(6-bromoindol-1-yl)-1-phenylpropan-1-one
CID 116691910

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylindol-1-yl)-phenylmethanone?
The IUPAC name of (5-bromo-2-methylindol-1-yl)-phenylmethanone (CID 67901223) is (5-bromo-2-methylindol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-bromo-2-methylindol-1-yl)-phenylmethanone?
The canonical SMILES for (5-bromo-2-methylindol-1-yl)-phenylmethanone is Cc1cc2cc(Br)ccc2n1C(=O)c1ccccc1.
What is the InChIKey of (5-bromo-2-methylindol-1-yl)-phenylmethanone?
The InChIKey is YHTLOVVZVHBVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-11-9-13-10-14(17)7-8-15(13)18(11)16(19)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of (5-bromo-2-methylindol-1-yl)-phenylmethanone?
(5-bromo-2-methylindol-1-yl)-phenylmethanone has a molecular weight of 314.18 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylindol-1-yl)-phenylmethanone is sourced from PubChem (CID 67901223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).