5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide

C16H12BrCl2NO — CID 112525315

IUPAC5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H12BrCl2NO/c17-12-5-4-9-6-11(7-10(9)8-12)16(21)20-15-13(18)2-1-3-14(15)19/h1-5,8,11H,6-7H2,(H,20,21)
InChIKeyPKPWWMPOTXXGAU-UHFFFAOYSA-N
MW385.09 g/mol
LogP5.11
Rot. Bonds2

About 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112525315) has the molecular formula C16H12BrCl2NO and a molecular weight of 385.09 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112525315
Molecular FormulaC16H12BrCl2NO
Molecular Weight385.09 g/mol
Exact Mass382.95
IUPAC Name5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H12BrCl2NO/c17-12-5-4-9-6-11(7-10(9)8-12)16(21)20-15-13(18)2-1-3-14(15)19/h1-5,8,11H,6-7H2,(H,20,21)
InChIKeyPKPWWMPOTXXGAU-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.09
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525347
5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206
5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 84577492
5-bromo-N-(2-methyl-1H-indol-4-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112526466
5-bromo-2,3-dihydro-1H-indene-2-carboxamide
CID 77491392
6-bromo-N-(2,6-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 65469337
5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527867
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112521584
5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112524848
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
5-bromo-N-(2-methoxyethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578269
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 112525315) is 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is PKPWWMPOTXXGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2NO/c17-12-5-4-9-6-11(7-10(9)8-12)16(21)20-15-13(18)2-1-3-14(15)19/h1-5,8,11H,6-7H2,(H,20,21).
What are the key properties of 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 385.09 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112525315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).