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

C14H16Br2N2O2 — CID 79252342

IUPAC5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)C(CO)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C14H16Br2N2O2/c1-7(2)13(6-19)18-14(20)9-5-17-12-4-11(16)10(15)3-8(9)12/h3-5,7,13,17,19H,6H2,1-2H3,(H,18,20)
InChIKeyJOOAOYYDRDEYTP-UHFFFAOYSA-N
MW404.10 g/mol
LogP3.44
Rot. Bonds4

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

5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide (PubChem CID 79252342) has the molecular formula C14H16Br2N2O2 and a molecular weight of 404.10 g/mol. Its IUPAC name is 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide
PubChem CID79252342
Molecular FormulaC14H16Br2N2O2
Molecular Weight404.10 g/mol
Exact Mass401.96
IUPAC Name5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide
SMILESCC(C)C(CO)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C14H16Br2N2O2/c1-7(2)13(6-19)18-14(20)9-5-17-12-4-11(16)10(15)3-8(9)12/h3-5,7,13,17,19H,6H2,1-2H3,(H,18,20)
InChIKeyJOOAOYYDRDEYTP-UHFFFAOYSA-N
XLogP3.44
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.10
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
5,6-dibromo-N-tert-butyl-1H-indole-3-carboxamide
CID 60676008
5,6-dibromo-N-(2-methylprop-2-enyl)-1H-indole-3-carboxamide
CID 114618935
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423
5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide
CID 106180224
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
2-bromo-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032026
3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427247
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 79246429

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide (CID 79252342) is 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide is CC(C)C(CO)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12.
What is the InChIKey of 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide?
The InChIKey is JOOAOYYDRDEYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N2O2/c1-7(2)13(6-19)18-14(20)9-5-17-12-4-11(16)10(15)3-8(9)12/h3-5,7,13,17,19H,6H2,1-2H3,(H,18,20).
What are the key properties of 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide?
5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide has a molecular weight of 404.10 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 79252342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).