1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide

C12H13BrN2O — CID 158801497

IUPAC1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide
SMILESNCCC1=CCc2c(C(N)=O)ccc(Br)c21
InChIInChI=1S/C12H13BrN2O/c13-10-4-3-9(12(15)16)8-2-1-7(5-6-14)11(8)10/h1,3-4H,2,5-6,14H2,(H2,15,16)
InChIKeyWSWWDLYKEBWGOM-UHFFFAOYSA-N
MW281.15 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide

1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide (PubChem CID 158801497) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide
PubChem CID158801497
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide
SMILESNCCC1=CCc2c(C(N)=O)ccc(Br)c21
InChIInChI=1S/C12H13BrN2O/c13-10-4-3-9(12(15)16)8-2-1-7(5-6-14)11(8)10/h1,3-4H,2,5-6,14H2,(H2,15,16)
InChIKeyWSWWDLYKEBWGOM-UHFFFAOYSA-N
XLogP1.84
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
CID 130626632
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CID 159370862
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bicyclo[12.4.0]octadeca-1(18),14,16-triene-15,18-dicarboxamide
CID 54033082
2,3-diiodobenzene-1,4-dicarboxamide
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2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
CID 84801502
3-(3-bromo-4-carbamoylanilino)propanoic acid
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4-(2-aminoethyl)benzamide;hydrochloride
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CID 143797980

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide (CID 158801497) is 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide is NCCC1=CCc2c(C(N)=O)ccc(Br)c21.
What is the InChIKey of 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide?
The InChIKey is WSWWDLYKEBWGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-4-3-9(12(15)16)8-2-1-7(5-6-14)11(8)10/h1,3-4H,2,5-6,14H2,(H2,15,16).
What are the key properties of 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide?
1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide has a molecular weight of 281.15 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-bromo-3H-indene-4-carboxamide is sourced from PubChem (CID 158801497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).