N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide

C17H16BrNO — CID 106737103

IUPACN-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C17H16BrNO/c1-11-6-7-16(15(18)8-11)19-17(20)14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3,(H,19,20)
InChIKeyDMIVQNMIBPDRFO-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.11
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106737103) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106737103
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1ccc(NC(=O)C2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C17H16BrNO/c1-11-6-7-16(15(18)8-11)19-17(20)14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3,(H,19,20)
InChIKeyDMIVQNMIBPDRFO-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703052
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520843
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
methyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 113008293
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
4-amino-N-(2-bromo-4-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211222

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106737103) is N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide is Cc1ccc(NC(=O)C2Cc3ccccc3C2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is DMIVQNMIBPDRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-6-7-16(15(18)8-11)19-17(20)14-9-12-4-2-3-5-13(12)10-14/h2-8,14H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106737103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).