N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide

C17H17BrN2O — CID 106892292

IUPACN-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1cc(N)c(NC(=O)C2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C17H17BrN2O/c1-10-6-14(18)16(15(19)7-10)20-17(21)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9,19H2,1H3,(H,20,21)
InChIKeyKUAYORSXYVUVLX-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.69
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106892292) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106892292
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1cc(N)c(NC(=O)C2Cc3ccccc3C2)c(Br)c1
InChIInChI=1S/C17H17BrN2O/c1-10-6-14(18)16(15(19)7-10)20-17(21)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9,19H2,1H3,(H,20,21)
InChIKeyKUAYORSXYVUVLX-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737103
N-(2-amino-6-bromo-4-methylphenyl)oxolane-3-carboxamide
CID 116813691
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149245
N-(2-amino-6-bromo-4-methylphenyl)-1,4-dioxane-2-carboxamide
CID 116813578
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-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525347
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 79526653
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703873
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106892292) is N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide is Cc1cc(N)c(NC(=O)C2Cc3ccccc3C2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is KUAYORSXYVUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-10-6-14(18)16(15(19)7-10)20-17(21)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106892292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).