5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide

C15H18Br2N2O2 — CID 106180224

IUPAC5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C15H18Br2N2O2/c1-14(2,15(3,4)21)19-13(20)9-7-18-12-6-11(17)10(16)5-8(9)12/h5-7,18,21H,1-4H3,(H,19,20)
InChIKeyJNSLEFSEHREGTG-UHFFFAOYSA-N
MW418.13 g/mol
LogP3.97
Rot. Bonds3

About 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide

5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide (PubChem CID 106180224) has the molecular formula C15H18Br2N2O2 and a molecular weight of 418.13 g/mol. Its IUPAC name is 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide
PubChem CID106180224
Molecular FormulaC15H18Br2N2O2
Molecular Weight418.13 g/mol
Exact Mass415.97
IUPAC Name5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C15H18Br2N2O2/c1-14(2,15(3,4)21)19-13(20)9-7-18-12-6-11(17)10(16)5-8(9)12/h5-7,18,21H,1-4H3,(H,19,20)
InChIKeyJNSLEFSEHREGTG-UHFFFAOYSA-N
XLogP3.97
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide
CID 60676008
3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427247
5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide
CID 114618935
5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide
CID 79252342
5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 103852404
2-[(5,6-dibromo-1H-indole-3-carbonyl)amino]pentanoic acid
CID 43630529
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethoxybenzamide
CID 106179978
5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide
CID 134046254
5,6-dibromo-N-[2-(4-methoxyphenoxy)ethyl]-1H-indole-3-carboxamide
CID 134049859
methyl 6-bromo-5-methyl-1H-indole-3-carboxylate
CID 130049639
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 106180016
6-bromo-5-iodo-1H-indole-3-carboxylic acid
CID 126970262

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide (CID 106180224) is 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide is CC(C)(O)C(C)(C)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12.
What is the InChIKey of 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide?
The InChIKey is JNSLEFSEHREGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O2/c1-14(2,15(3,4)21)19-13(20)9-7-18-12-6-11(17)10(16)5-8(9)12/h5-7,18,21H,1-4H3,(H,19,20).
What are the key properties of 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide?
5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide has a molecular weight of 418.13 g/mol, XLogP of 3.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 106180224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).