5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

C20H19BrN2O — CID 112528829

IUPAC5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C20H19BrN2O/c21-17-6-5-13-9-16(10-15(13)11-17)20(24)22-8-7-14-12-23-19-4-2-1-3-18(14)19/h1-6,11-12,16,23H,7-10H2,(H,22,24)
InChIKeyPMYUCTNPORTBGF-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.00
Rot. Bonds4

About 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112528829) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112528829
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C20H19BrN2O/c21-17-6-5-13-9-16(10-15(13)11-17)20(24)22-8-7-14-12-23-19-4-2-1-3-18(14)19/h1-6,11-12,16,23H,7-10H2,(H,22,24)
InChIKeyPMYUCTNPORTBGF-UHFFFAOYSA-N
XLogP4.00
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
4-N-butan-2-yl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145446
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 112528829) is 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is PMYUCTNPORTBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c21-17-6-5-13-9-16(10-15(13)11-17)20(24)22-8-7-14-12-23-19-4-2-1-3-18(14)19/h1-6,11-12,16,23H,7-10H2,(H,22,24).
What are the key properties of 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1H-indol-3-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112528829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).