3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide

C17H17BrN2O — CID 103846407

IUPAC3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC2CCc3c(Br)cccc32)c1
InChIInChI=1S/C17H17BrN2O/c1-19-17(21)11-4-2-5-12(10-11)20-16-9-8-13-14(16)6-3-7-15(13)18/h2-7,10,16,20H,8-9H2,1H3,(H,19,21)
InChIKeyIESYAIBEWVUCCN-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.91
Rot. Bonds3

About 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide

3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide (PubChem CID 103846407) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
PubChem CID103846407
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC2CCc3c(Br)cccc32)c1
InChIInChI=1S/C17H17BrN2O/c1-19-17(21)11-4-2-5-12(10-11)20-16-9-8-13-14(16)6-3-7-15(13)18/h2-7,10,16,20H,8-9H2,1H3,(H,19,21)
InChIKeyIESYAIBEWVUCCN-UHFFFAOYSA-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

3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 79489715
4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide
CID 103846432
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
CID 103932343
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-(methylamino)acetamide
CID 119773520
2-[6-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 77385602
4-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxybenzonitrile
CID 146294647
N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 104776130
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
CID 62702969
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817145
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 65435898

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The IUPAC name of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide (CID 103846407) is 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The canonical SMILES for 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide is CNC(=O)c1cccc(NC2CCc3c(Br)cccc32)c1.
What is the InChIKey of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
The InChIKey is IESYAIBEWVUCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-19-17(21)11-4-2-5-12(10-11)20-16-9-8-13-14(16)6-3-7-15(13)18/h2-7,10,16,20H,8-9H2,1H3,(H,19,21).
What are the key properties of 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide?
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide 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 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 103846407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).