(4-bromophenyl)-(1-methylindol-2-yl)methanone

C16H12BrNO — CID 11723130

IUPAC(4-bromophenyl)-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)c2ccc(Br)cc2)cc2ccccc21
InChIInChI=1S/C16H12BrNO/c1-18-14-5-3-2-4-12(14)10-15(18)16(19)11-6-8-13(17)9-7-11/h2-10H,1H3
InChIKeyZSSUMMJTJGAYCB-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.17
Rot. Bonds2

About (4-bromophenyl)-(1-methylindol-2-yl)methanone

(4-bromophenyl)-(1-methylindol-2-yl)methanone (PubChem CID 11723130) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is (4-bromophenyl)-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(1-methylindol-2-yl)methanone
PubChem CID11723130
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name(4-bromophenyl)-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)c2ccc(Br)cc2)cc2ccccc21
InChIInChI=1S/C16H12BrNO/c1-18-14-5-3-2-4-12(14)10-15(18)16(19)11-6-8-13(17)9-7-11/h2-10H,1H3
InChIKeyZSSUMMJTJGAYCB-UHFFFAOYSA-N
XLogP4.17
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(1-methylindol-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(1-methylindol-2-yl)methanone (CID 11723130) is (4-bromophenyl)-(1-methylindol-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(1-methylindol-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(1-methylindol-2-yl)methanone is Cn1c(C(=O)c2ccc(Br)cc2)cc2ccccc21.
What is the InChIKey of (4-bromophenyl)-(1-methylindol-2-yl)methanone?
The InChIKey is ZSSUMMJTJGAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-18-14-5-3-2-4-12(14)10-15(18)16(19)11-6-8-13(17)9-7-11/h2-10H,1H3.
What are the key properties of (4-bromophenyl)-(1-methylindol-2-yl)methanone?
(4-bromophenyl)-(1-methylindol-2-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 11723130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).