N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H16BrNO — CID 82707017

IUPACN-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H16BrNO/c1-11-5-8-15(18)16(9-11)19-17(20)14-7-6-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyACCLXQAAQBKAEH-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.50
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 82707017) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID82707017
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC NameN-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C17H16BrNO/c1-11-5-8-15(18)16(9-11)19-17(20)14-7-6-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyACCLXQAAQBKAEH-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17499645
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107033697
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 82707017) is N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1ccc(Br)c(NC(=O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ACCLXQAAQBKAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-5-8-15(18)16(9-11)19-17(20)14-7-6-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 82707017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).