1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone

C20H19BrN2O2 — CID 91404494

IUPAC1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone
SMILESCc1c(C(=O)CN(C)C)c2ccccc2n1C(=O)c1ccccc1Br
InChIInChI=1S/C20H19BrN2O2/c1-13-19(18(24)12-22(2)3)15-9-5-7-11-17(15)23(13)20(25)14-8-4-6-10-16(14)21/h4-11H,12H2,1-3H3
InChIKeyBTBACPUDZFRQKQ-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.15
Rot. Bonds4

About 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone

1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone (PubChem CID 91404494) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone
PubChem CID91404494
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone
SMILESCc1c(C(=O)CN(C)C)c2ccccc2n1C(=O)c1ccccc1Br
InChIInChI=1S/C20H19BrN2O2/c1-13-19(18(24)12-22(2)3)15-9-5-7-11-17(15)23(13)20(25)14-8-4-6-10-16(14)21/h4-11H,12H2,1-3H3
InChIKeyBTBACPUDZFRQKQ-UHFFFAOYSA-N
XLogP4.15
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690357
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
CID 82489066
1-(2-bromobenzoyl)indole-3-carboxamide
CID 91690367
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate
CID 54982790
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
CID 178200159
1-(4-ethylbenzoyl)-2-methylindole-3-carbohydrazide
CID 91690237
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone
CID 118343905
(2-bromophenyl)-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013272
1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690481
1-(4-bromo-3-nitrobenzoyl)-2-methylindole-3-carboxylic acid
CID 91690799

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone (CID 91404494) is 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone is Cc1c(C(=O)CN(C)C)c2ccccc2n1C(=O)c1ccccc1Br.
What is the InChIKey of 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone?
The InChIKey is BTBACPUDZFRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-13-19(18(24)12-22(2)3)15-9-5-7-11-17(15)23(13)20(25)14-8-4-6-10-16(14)21/h4-11H,12H2,1-3H3.
What are the key properties of 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone?
1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone has a molecular weight of 399.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromobenzoyl)-2-methylindol-3-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 91404494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).