N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide

C19H24BrN3O2 — CID 86878992

IUPACN-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
SMILESNC(=O)CN(CCC1CCCCC1)C(=O)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C19H24BrN3O2/c20-15-7-4-8-16-14(15)11-17(22-16)19(25)23(12-18(21)24)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,22H,1-3,5-6,9-10,12H2,(H2,21,24)
InChIKeyAAZGZRVZLHSWHZ-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.83
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide

N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide (PubChem CID 86878992) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
PubChem CID86878992
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC NameN-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
SMILESNC(=O)CN(CCC1CCCCC1)C(=O)c1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C19H24BrN3O2/c20-15-7-4-8-16-14(15)11-17(22-16)19(25)23(12-18(21)24)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,22H,1-3,5-6,9-10,12H2,(H2,21,24)
InChIKeyAAZGZRVZLHSWHZ-UHFFFAOYSA-N
XLogP3.83
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide (CID 86878992) is N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide is NC(=O)CN(CCC1CCCCC1)C(=O)c1cc2c(Br)cccc2[nH]1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
The InChIKey is AAZGZRVZLHSWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c20-15-7-4-8-16-14(15)11-17(22-16)19(25)23(12-18(21)24)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,22H,1-3,5-6,9-10,12H2,(H2,21,24).
What are the key properties of N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide?
N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-bromo-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 86878992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).