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

C18H18BrNO — CID 106894275

IUPACN-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrNO/c1-12(19)16-8-4-5-9-17(16)20-18(21)15-10-13-6-2-3-7-14(13)11-15/h2-9,12,15H,10-11H2,1H3,(H,20,21)
InChIKeyBENZPQJMFCNKTE-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.50
Rot. Bonds3

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

N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894275) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894275
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC NameN-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H18BrNO/c1-12(19)16-8-4-5-9-17(16)20-18(21)15-10-13-6-2-3-7-14(13)11-15/h2-9,12,15H,10-11H2,1H3,(H,20,21)
InChIKeyBENZPQJMFCNKTE-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.50
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-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
N-(2-acetylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703126
N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide
CID 112745152
N-[2-(hydroxymethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893200
N-[2-(methylaminomethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893270
N-(2-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24690302
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N-(2-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703052

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 106894275) is N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide is CC(Br)c1ccccc1NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is BENZPQJMFCNKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-12(19)16-8-4-5-9-17(16)20-18(21)15-10-13-6-2-3-7-14(13)11-15/h2-9,12,15H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 344.25 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).