N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

C17H17BrN2O — CID 107583431

IUPACN-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESCc1cc(Br)cc(NC(=O)CC2CNc3ccccc32)c1
InChIInChI=1S/C17H17BrN2O/c1-11-6-13(18)9-14(7-11)20-17(21)8-12-10-19-16-5-3-2-4-15(12)16/h2-7,9,12,19H,8,10H2,1H3,(H,20,21)
InChIKeyOPZKAASREHHCLB-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.30
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide

N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (PubChem CID 107583431) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
PubChem CID107583431
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC NameN-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
SMILESCc1cc(Br)cc(NC(=O)CC2CNc3ccccc32)c1
InChIInChI=1S/C17H17BrN2O/c1-11-6-13(18)9-14(7-11)20-17(21)8-12-10-19-16-5-3-2-4-15(12)16/h2-7,9,12,19H,8,10H2,1H3,(H,20,21)
InChIKeyOPZKAASREHHCLB-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573033
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 80572001
2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 80572158
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571755
2-(azetidin-3-yl)-N-(3-bromo-5-methylphenyl)acetamide
CID 107583496
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
2-(2,3-dihydro-1H-indol-3-yl)-N-pyridazin-3-ylacetamide
CID 116786750
methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
CID 155924431
1-(4-bromophenyl)-3-(2,3-dihydro-1H-indol-3-yl)propan-2-one
CID 116593523
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
N-(3-bromo-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107583524

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide (CID 107583431) is N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is Cc1cc(Br)cc(NC(=O)CC2CNc3ccccc32)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
The InChIKey is OPZKAASREHHCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-6-13(18)9-14(7-11)20-17(21)8-12-10-19-16-5-3-2-4-15(12)16/h2-7,9,12,19H,8,10H2,1H3,(H,20,21).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide?
N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide has a molecular weight of 345.24 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 107583431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).