N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H16BrNO — CID 17489421

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

About N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 17489421) 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-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID17489421
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC NameN-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)CCC3)c(Br)c1
InChIInChI=1S/C17H16BrNO/c1-11-5-8-16(15(18)9-11)19-17(20)14-7-6-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyLTMRPVSLKMFUTQ-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

Analyze N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-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-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17499645
N-(2-bromo-4-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carboxamide
CID 146080187
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 17489421) is N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)CCC3)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is LTMRPVSLKMFUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11-5-8-16(15(18)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-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-bromo-4-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-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 17489421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).