4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide

C17H17BrN2O — CID 163213424

IUPAC4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H17BrN2O/c1-11(13-4-7-16-14(10-13)8-9-19-16)20-17(21)12-2-5-15(18)6-3-12/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyUFAAKPQBMHIQST-LLVKDONJSA-N
MW345.24 g/mol
LogP3.91
Rot. Bonds3

About 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide

4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide (PubChem CID 163213424) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide
PubChem CID163213424
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H17BrN2O/c1-11(13-4-7-16-14(10-13)8-9-19-16)20-17(21)12-2-5-15(18)6-3-12/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyUFAAKPQBMHIQST-LLVKDONJSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43534403
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81374595
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide (CID 163213424) is 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCN2.
What is the InChIKey of 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide?
The InChIKey is UFAAKPQBMHIQST-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11(13-4-7-16-14(10-13)8-9-19-16)20-17(21)12-2-5-15(18)6-3-12/h2-7,10-11,19H,8-9H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide?
4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide has a molecular weight of 345.24 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide is sourced from PubChem (CID 163213424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).