6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

C19H16BrN3O — CID 55558900

IUPAC6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H16BrN3O/c20-14-6-5-12-9-18(23-17(12)10-14)19(24)21-8-7-13-11-22-16-4-2-1-3-15(13)16/h1-6,9-11,22-23H,7-8H2,(H,21,24)
InChIKeyFEULRKDCCPIOFU-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.38
Rot. Bonds4

About 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide

6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 55558900) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID55558900
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C19H16BrN3O/c20-14-6-5-12-9-18(23-17(12)10-14)19(24)21-8-7-13-11-22-16-4-2-1-3-15(13)16/h1-6,9-11,22-23H,7-8H2,(H,21,24)
InChIKeyFEULRKDCCPIOFU-UHFFFAOYSA-N
XLogP4.38
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112528829
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
5-bromo-N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 4792773
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide (CID 55558900) is 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is FEULRKDCCPIOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-14-6-5-12-9-18(23-17(12)10-14)19(24)21-8-7-13-11-22-16-4-2-1-3-15(13)16/h1-6,9-11,22-23H,7-8H2,(H,21,24).
What are the key properties of 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide?
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 382.26 g/mol, XLogP of 4.38, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55558900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).