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

C18H18BrNO — CID 133191869

IUPAC4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18BrNO/c1-12(15-6-5-13-3-2-4-16(13)11-15)20-18(21)14-7-9-17(19)10-8-14/h5-12H,2-4H2,1H3,(H,20,21)
InChIKeyDFMHATVECCHSFT-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.43
Rot. Bonds3

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

4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide (PubChem CID 133191869) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
PubChem CID133191869
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H18BrNO/c1-12(15-6-5-13-3-2-4-16(13)11-15)20-18(21)14-7-9-17(19)10-8-14/h5-12H,2-4H2,1H3,(H,20,21)
InChIKeyDFMHATVECCHSFT-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
4-bromo-N-[(1R)-1-(2,3-dihydro-1H-indol-5-yl)ethyl]benzamide
CID 163213424
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 133188763
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010009
4-[(carbamoylamino)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 78808360
1-[(4-bromophenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108899407
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide (CID 133191869) is 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
The InChIKey is DFMHATVECCHSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-12(15-6-5-13-3-2-4-16(13)11-15)20-18(21)14-7-9-17(19)10-8-14/h5-12H,2-4H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide?
4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide has a molecular weight of 344.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide is sourced from PubChem (CID 133191869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).