N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

C17H17BrN2O — CID 80564594

IUPACN-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O/c1-11(12-6-2-4-8-15(12)18)20-17(21)14-10-19-16-9-5-3-7-13(14)16/h2-9,11,14,19H,10H2,1H3,(H,20,21)
InChIKeyPAQPSZNIQIHWAX-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.84
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80564594) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80564594
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H17BrN2O/c1-11(12-6-2-4-8-15(12)18)20-17(21)14-10-19-16-9-5-3-7-13(14)16/h2-9,11,14,19H,10H2,1H3,(H,20,21)
InChIKeyPAQPSZNIQIHWAX-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563668
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 81355683
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566367
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80564594) is N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is CC(NC(=O)C1CNc2ccccc21)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is PAQPSZNIQIHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11(12-6-2-4-8-15(12)18)20-17(21)14-10-19-16-9-5-3-7-13(14)16/h2-9,11,14,19H,10H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80564594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).