2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide

C15H14BrNO — CID 15292142

IUPAC2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide
SMILESO=C(CBr)NC1Cc2cccc3cccc(c23)C1
InChIInChI=1S/C15H14BrNO/c16-9-14(18)17-13-7-11-5-1-3-10-4-2-6-12(8-13)15(10)11/h1-6,13H,7-9H2,(H,17,18)
InChIKeyDJEVXRVISVWTKJ-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.82
Rot. Bonds2

About 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide

2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide (PubChem CID 15292142) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide
PubChem CID15292142
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide
SMILESO=C(CBr)NC1Cc2cccc3cccc(c23)C1
InChIInChI=1S/C15H14BrNO/c16-9-14(18)17-13-7-11-5-1-3-10-4-2-6-12(8-13)15(10)11/h1-6,13H,7-9H2,(H,17,18)
InChIKeyDJEVXRVISVWTKJ-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2,3-dihydro-1H-phenalen-2-amine
CID 70389017
N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010
N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 114009459
1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101310
2-[bis[2-[carboxymethyl-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 67910481
3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751
N-(2,3-dihydro-1H-inden-2-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 77091778
CID 153368411
CID 153368411
1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101252
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142
1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101298
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide (CID 15292142) is 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide is O=C(CBr)NC1Cc2cccc3cccc(c23)C1.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide?
The InChIKey is DJEVXRVISVWTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-9-14(18)17-13-7-11-5-1-3-10-4-2-6-12(8-13)15(10)11/h1-6,13H,7-9H2,(H,17,18).
What are the key properties of 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide?
2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide has a molecular weight of 304.19 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide is sourced from PubChem (CID 15292142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).