4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide

C15H19BrN2O2 — CID 110002008

IUPAC4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H19BrN2O2/c1-3-15(2,7-8-19)18-14(20)10-9-17-12-6-4-5-11(16)13(10)12/h4-6,9,17,19H,3,7-8H2,1-2H3,(H,18,20)
InChIKeySJZJHGJQTKXYCG-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.21
Rot. Bonds5

About 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide

4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide (PubChem CID 110002008) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide
PubChem CID110002008
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H19BrN2O2/c1-3-15(2,7-8-19)18-14(20)10-9-17-12-6-4-5-11(16)13(10)12/h4-6,9,17,19H,3,7-8H2,1-2H3,(H,18,20)
InChIKeySJZJHGJQTKXYCG-UHFFFAOYSA-N
XLogP3.21
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 115351529
3-amino-4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 106174276
2-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-iodobenzamide
CID 113368412
2-[(1-hydroxy-3-methylpentan-3-yl)carbamoyl]benzoic acid
CID 106167893
N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
CID 75498993
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
N-(1-hydroxy-3-methylpentan-3-yl)quinoxaline-5-carboxamide
CID 104580990
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
2-bromo-1-(4-bromo-1H-indol-3-yl)propan-1-one
CID 115351483
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
5-bromo-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-carboxamide
CID 103945941

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide (CID 110002008) is 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide is CCC(C)(CCO)NC(=O)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide?
The InChIKey is SJZJHGJQTKXYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-3-15(2,7-8-19)18-14(20)10-9-17-12-6-4-5-11(16)13(10)12/h4-6,9,17,19H,3,7-8H2,1-2H3,(H,18,20).
What are the key properties of 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide?
4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 110002008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).