N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide

C14H17BrN2O2 — CID 54195736

IUPACN-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(Br)C(N(C)C(C)=O)C2
InChIInChI=1S/C14H17BrN2O2/c1-8(18)16-11-5-4-10-6-13(17(3)9(2)19)14(15)12(10)7-11/h4-5,7,13-14H,6H2,1-3H3,(H,16,18)
InChIKeyPLQXHTDOMQLVNF-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.48
Rot. Bonds2

About N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide

N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 54195736) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID54195736
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(Br)C(N(C)C(C)=O)C2
InChIInChI=1S/C14H17BrN2O2/c1-8(18)16-11-5-4-10-6-13(17(3)9(2)19)14(15)12(10)7-11/h4-5,7,13-14H,6H2,1-3H3,(H,16,18)
InChIKeyPLQXHTDOMQLVNF-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 21393481
N-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraen-4-yl)acetamide
CID 171129746
N-(3-bromo-1H-isoindol-5-yl)acetamide
CID 164986479
(6-acetamido-3,3-dimethyl-1,2-dihydroinden-1-yl) acetate
CID 139847394
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
N-(3-methyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 119085478
N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504860
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930
N-(1H-isoindol-5-yl)acetamide
CID 142070136
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
CID 123877752
N-(10-methylidene-9H-thioxanthen-3-yl)acetamide
CID 58961344

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide (CID 54195736) is N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(Br)C(N(C)C(C)=O)C2.
What is the InChIKey of N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is PLQXHTDOMQLVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-8(18)16-11-5-4-10-6-13(17(3)9(2)19)14(15)12(10)7-11/h4-5,7,13-14H,6H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(methyl)amino]-3-bromo-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 54195736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).