N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide

C17H19BrN2O — CID 167855185

IUPACN-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCC(C)(Cc1c[nH]c2c(Br)cccc12)NC(=O)C12CC1C2
InChIInChI=1S/C17H19BrN2O/c1-16(2,20-15(21)17-7-11(17)8-17)6-10-9-19-14-12(10)4-3-5-13(14)18/h3-5,9,11,19H,6-8H2,1-2H3,(H,20,21)
InChIKeyIJRODLWNGGDUHU-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide

N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167855185) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167855185
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESCC(C)(Cc1c[nH]c2c(Br)cccc12)NC(=O)C12CC1C2
InChIInChI=1S/C17H19BrN2O/c1-16(2,20-15(21)17-7-11(17)8-17)6-10-9-19-14-12(10)4-3-5-13(14)18/h3-5,9,11,19H,6-8H2,1-2H3,(H,20,21)
InChIKeyIJRODLWNGGDUHU-UHFFFAOYSA-N
XLogP3.78
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide (CID 167855185) is N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide is CC(C)(Cc1c[nH]c2c(Br)cccc12)NC(=O)C12CC1C2.
What is the InChIKey of N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is IJRODLWNGGDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-16(2,20-15(21)17-7-11(17)8-17)6-10-9-19-14-12(10)4-3-5-13(14)18/h3-5,9,11,19H,6-8H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide?
N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-bromo-1H-indol-3-yl)-2-methylpropan-2-yl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167855185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).