5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide

C18H19BrN2O — CID 84577492

IUPAC5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)C2Cc3ccc(Br)cc3C2)c1
InChIInChI=1S/C18H19BrN2O/c1-21(2)17-5-3-4-16(11-17)20-18(22)14-8-12-6-7-15(19)10-13(12)9-14/h3-7,10-11,14H,8-9H2,1-2H3,(H,20,22)
InChIKeyGYNDTXGNTVFJQQ-UHFFFAOYSA-N
MW359.27 g/mol
LogP3.87
Rot. Bonds3

About 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 84577492) has the molecular formula C18H19BrN2O and a molecular weight of 359.27 g/mol. Its IUPAC name is 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID84577492
Molecular FormulaC18H19BrN2O
Molecular Weight359.27 g/mol
Exact Mass358.07
IUPAC Name5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN(C)c1cccc(NC(=O)C2Cc3ccc(Br)cc3C2)c1
InChIInChI=1S/C18H19BrN2O/c1-21(2)17-5-3-4-16(11-17)20-18(22)14-8-12-6-7-15(19)10-13(12)9-14/h3-7,10-11,14H,8-9H2,1-2H3,(H,20,22)
InChIKeyGYNDTXGNTVFJQQ-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112521584
5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525315
5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525640
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
5-bromo-N-(2-methyl-1H-indol-4-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112526466
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112524848
(2S)-N-[3-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 113297589

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 84577492) is 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide is CN(C)c1cccc(NC(=O)C2Cc3ccc(Br)cc3C2)c1.
What is the InChIKey of 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is GYNDTXGNTVFJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O/c1-21(2)17-5-3-4-16(11-17)20-18(22)14-8-12-6-7-15(19)10-13(12)9-14/h3-7,10-11,14H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 359.27 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 84577492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).