N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide

C18H18BrNO — CID 106894261

IUPACN-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc(CCBr)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrNO/c19-10-9-13-5-7-17(8-6-13)20-18(21)16-11-14-3-1-2-4-15(14)12-16/h1-8,16H,9-12H2,(H,20,21)
InChIKeyKHYLQOYBUOPBFX-UHFFFAOYSA-N
MW344.25 g/mol
LogP3.98
Rot. Bonds4

About N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894261) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894261
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1ccc(CCBr)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrNO/c19-10-9-13-5-7-17(8-6-13)20-18(21)16-11-14-3-1-2-4-15(14)12-16/h1-8,16H,9-12H2,(H,20,21)
InChIKeyKHYLQOYBUOPBFX-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 53.98
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-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-[4-(2-phenylethylamino)phenyl]cyclopropanecarboxamide
CID 28660333
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-[4-(2-hydroxyethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279684
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893109
N-[4-(2-bromoethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 114310290
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-(4-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894289

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 106894261) is N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1ccc(CCBr)cc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is KHYLQOYBUOPBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c19-10-9-13-5-7-17(8-6-13)20-18(21)16-11-14-3-1-2-4-15(14)12-16/h1-8,16H,9-12H2,(H,20,21).
What are the key properties of N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).