2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide

C19H21BrN2O — CID 36717956

IUPAC2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H21BrN2O/c20-17-8-6-15(7-9-17)14-19(23)21-11-3-12-22-13-10-16-4-1-2-5-18(16)22/h1-2,4-9H,3,10-14H2,(H,21,23)
InChIKeyWSCGSDFNMAOCBU-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.56
Rot. Bonds6

About 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide

2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide (PubChem CID 36717956) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
PubChem CID36717956
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H21BrN2O/c20-17-8-6-15(7-9-17)14-19(23)21-11-3-12-22-13-10-16-4-1-2-5-18(16)22/h1-2,4-9H,3,10-14H2,(H,21,23)
InChIKeyWSCGSDFNMAOCBU-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100555755
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
1-[(4-bromophenyl)methyl]-2,3-dihydroindole
CID 22199835

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide (CID 36717956) is 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide is O=C(Cc1ccc(Br)cc1)NCCCN1CCc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
The InChIKey is WSCGSDFNMAOCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c20-17-8-6-15(7-9-17)14-19(23)21-11-3-12-22-13-10-16-4-1-2-5-18(16)22/h1-2,4-9H,3,10-14H2,(H,21,23).
What are the key properties of 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide?
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide has a molecular weight of 373.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide is sourced from PubChem (CID 36717956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).