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

C17H15BrClNO — CID 104724066

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C17H15BrClNO/c1-10-7-14(18)16(9-15(10)19)20-17(21)13-6-5-11-3-2-4-12(11)8-13/h5-9H,2-4H2,1H3,(H,20,21)
InChIKeyPFBITJZCBIHKNF-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.15
Rot. Bonds2

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

N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 104724066) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID104724066
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C17H15BrClNO/c1-10-7-14(18)16(9-15(10)19)20-17(21)13-6-5-11-3-2-4-12(11)8-13/h5-9H,2-4H2,1H3,(H,20,21)
InChIKeyPFBITJZCBIHKNF-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17499645
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 104724066) is N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(Br)c(NC(=O)c2ccc3c(c2)CCC3)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is PFBITJZCBIHKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c1-10-7-14(18)16(9-15(10)19)20-17(21)13-6-5-11-3-2-4-12(11)8-13/h5-9H,2-4H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 364.67 g/mol, XLogP of 5.15, 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-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 104724066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).