4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide

C15H17BrN2O2 — CID 146125241

IUPAC4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
SMILESCC1(NC(=O)c2cc3c(Br)cccc3[nH]2)CCCOC1
InChIInChI=1S/C15H17BrN2O2/c1-15(6-3-7-20-9-15)18-14(19)13-8-10-11(16)4-2-5-12(10)17-13/h2,4-5,8,17H,3,6-7,9H2,1H3,(H,18,19)
InChIKeyMNYRQXCGODUKSR-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.23
Rot. Bonds2

About 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide

4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide (PubChem CID 146125241) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
PubChem CID146125241
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide
SMILESCC1(NC(=O)c2cc3c(Br)cccc3[nH]2)CCCOC1
InChIInChI=1S/C15H17BrN2O2/c1-15(6-3-7-20-9-15)18-14(19)13-8-10-11(16)4-2-5-12(10)17-13/h2,4-5,8,17H,3,6-7,9H2,1H3,(H,18,19)
InChIKeyMNYRQXCGODUKSR-UHFFFAOYSA-N
XLogP3.23
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide (CID 146125241) is 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide is CC1(NC(=O)c2cc3c(Br)cccc3[nH]2)CCCOC1.
What is the InChIKey of 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide?
The InChIKey is MNYRQXCGODUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-15(6-3-7-20-9-15)18-14(19)13-8-10-11(16)4-2-5-12(10)17-13/h2,4-5,8,17H,3,6-7,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide?
4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-methyloxan-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 146125241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).