5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide

C15H18Br2N2O2 — CID 103852404

IUPAC5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C15H18Br2N2O2/c1-8(2)13(3-4-20)19-15(21)10-7-18-14-6-12(17)11(16)5-9(10)14/h5-8,13,18,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyPLRMQJJZWQKPLZ-UHFFFAOYSA-N
MW418.13 g/mol
LogP3.83
Rot. Bonds5

About 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide

5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide (PubChem CID 103852404) has the molecular formula C15H18Br2N2O2 and a molecular weight of 418.13 g/mol. Its IUPAC name is 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide
PubChem CID103852404
Molecular FormulaC15H18Br2N2O2
Molecular Weight418.13 g/mol
Exact Mass415.97
IUPAC Name5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide
SMILESCC(C)C(CCO)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12
InChIInChI=1S/C15H18Br2N2O2/c1-8(2)13(3-4-20)19-15(21)10-7-18-14-6-12(17)11(16)5-9(10)14/h5-8,13,18,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyPLRMQJJZWQKPLZ-UHFFFAOYSA-N
XLogP3.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indole-3-carboxamide
CID 79252342
2-[(5,6-dibromo-1H-indole-3-carbonyl)amino]pentanoic acid
CID 43630529
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
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
5,6-dibromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-indole-3-carboxamide
CID 106180224
3-[(5,6-dibromo-1H-indole-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427247
2,6-dichloro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103782454
3-bromo-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylbenzamide
CID 104860295
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
CID 106354942
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide (CID 103852404) is 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide is CC(C)C(CCO)NC(=O)c1c[nH]c2cc(Br)c(Br)cc12.
What is the InChIKey of 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide?
The InChIKey is PLRMQJJZWQKPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2O2/c1-8(2)13(3-4-20)19-15(21)10-7-18-14-6-12(17)11(16)5-9(10)14/h5-8,13,18,20H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide?
5,6-dibromo-N-(1-hydroxy-4-methylpentan-3-yl)-1H-indole-3-carboxamide has a molecular weight of 418.13 g/mol, XLogP of 3.83, 5 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-4-methylpentan-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 103852404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).