1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)

C84H82Br6N10O16 — CID 159370857

IUPAC1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)
SMILESCCC(CC1=CCc2c(C(N)=O)ccc(Br)c21)[N+](=O)[O-].CCC(N)CC1=CCc2c(C(N)=O)ccc(Br)c21.CCC1=CCc2c(C(N)=O)ccc(Br)c21.CCC1CC2=C(CN1)Cc1c(C(N)=O)ccc(Br)c12.CCc1cc2c(cn1)Cc1c(C(N)=O)ccc(Br)c1-2.NC(=O)c1ccc(Br)c2c1CC=C2.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C15H17BrN2O.C15H13BrN2O.C14H15BrN2O3.C14H17BrN2O.C12H12BrNO.C10H8BrNO.4CO2/c2*1-2-9-6-11-8(7-18-9)5-12-10(15(17)19)3-4-13(16)14(11)12;1-2-9(17(19)20)7-8-3-4-10-11(14(16)18)5-6-12(15)13(8)10;1-2-9(16)7-8-3-4-10-11(14(17)18)5-6-12(15)13(8)10;1-2-7-3-4-8-9(12(14)15)5-6-10(13)11(7)8;11-9-5-4-8(10(12)13)6-2-1-3-7(6)9;4*2-1-3/h3-4,9,18H,2,5-7H2,1H3,(H2,17,19);3-4,6-7H,2,5H2,1H3,(H2,17,19);3,5-6,9H,2,4,7H2,1H3,(H2,16,18);3,5-6,9H,2,4,7,16H2,1H3,(H2,17,18);3,5-6H,2,4H2,1H3,(H2,14,15);1,3-5H,2H2,(H2,12,13);;;;
InChIKeyLJSMTTMGEDGQGE-UHFFFAOYSA-N
MW1967.06 g/mol
LogP13.93
Rot. Bonds16

About 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)

1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide) (PubChem CID 159370857) has the molecular formula C84H82Br6N10O16 and a molecular weight of 1967.06 g/mol. Its IUPAC name is 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide).

Molecular Properties

Compound Name1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)
PubChem CID159370857
Molecular FormulaC84H82Br6N10O16
Molecular Weight1967.06 g/mol
Exact Mass1960.10
IUPAC Name1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)
SMILESCCC(CC1=CCc2c(C(N)=O)ccc(Br)c21)[N+](=O)[O-].CCC(N)CC1=CCc2c(C(N)=O)ccc(Br)c21.CCC1=CCc2c(C(N)=O)ccc(Br)c21.CCC1CC2=C(CN1)Cc1c(C(N)=O)ccc(Br)c12.CCc1cc2c(cn1)Cc1c(C(N)=O)ccc(Br)c1-2.NC(=O)c1ccc(Br)c2c1CC=C2.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C15H17BrN2O.C15H13BrN2O.C14H15BrN2O3.C14H17BrN2O.C12H12BrNO.C10H8BrNO.4CO2/c2*1-2-9-6-11-8(7-18-9)5-12-10(15(17)19)3-4-13(16)14(11)12;1-2-9(17(19)20)7-8-3-4-10-11(14(16)18)5-6-12(15)13(8)10;1-2-9(16)7-8-3-4-10-11(14(17)18)5-6-12(15)13(8)10;1-2-7-3-4-8-9(12(14)15)5-6-10(13)11(7)8;11-9-5-4-8(10(12)13)6-2-1-3-7(6)9;4*2-1-3/h3-4,9,18H,2,5-7H2,1H3,(H2,17,19);3-4,6-7H,2,5H2,1H3,(H2,17,19);3,5-6,9H,2,4,7H2,1H3,(H2,16,18);3,5-6,9H,2,4,7,16H2,1H3,(H2,17,18);3,5-6H,2,4H2,1H3,(H2,14,15);1,3-5H,2H2,(H2,12,13);;;;
InChIKeyLJSMTTMGEDGQGE-UHFFFAOYSA-N
XLogP13.93
TPSA489.18 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001967.06
LogP ≤ 513.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)?
The IUPAC name of 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide) (CID 159370857) is 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide).
What is the SMILES notation for 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)?
The canonical SMILES for 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide) is CCC(CC1=CCc2c(C(N)=O)ccc(Br)c21)[N+](=O)[O-].CCC(N)CC1=CCc2c(C(N)=O)ccc(Br)c21.CCC1=CCc2c(C(N)=O)ccc(Br)c21.CCC1CC2=C(CN1)Cc1c(C(N)=O)ccc(Br)c12.CCc1cc2c(cn1)Cc1c(C(N)=O)ccc(Br)c1-2.NC(=O)c1ccc(Br)c2c1CC=C2.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)?
The InChIKey is LJSMTTMGEDGQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O.C15H13BrN2O.C14H15BrN2O3.C14H17BrN2O.C12H12BrNO.C10H8BrNO.4CO2/c2*1-2-9-6-11-8(7-18-9)5-12-10(15(17)19)3-4-13(16)14(11)12;1-2-9(17(19)20)7-8-3-4-10-11(14(16)18)5-6-12(15)13(8)10;1-2-9(16)7-8-3-4-10-11(14(17)18)5-6-12(15)13(8)10;1-2-7-3-4-8-9(12(14)15)5-6-10(13)11(7)8;11-9-5-4-8(10(12)13)6-2-1-3-7(6)9;4*2-1-3/h3-4,9,18H,2,5-7H2,1H3,(H2,17,19);3-4,6-7H,2,5H2,1H3,(H2,17,19);3,5-6,9H,2,4,7H2,1H3,(H2,16,18);3,5-6,9H,2,4,7,16H2,1H3,(H2,17,18);3,5-6H,2,4H2,1H3,(H2,14,15);1,3-5H,2H2,(H2,12,13);;;;.
What are the key properties of 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide)?
1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide) has a molecular weight of 1967.06 g/mol, XLogP of 13.93, 16 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-7-bromo-3H-indene-4-carboxamide;7-bromo-1-ethyl-3H-indene-4-carboxamide;5-bromo-3-ethyl-9H-indeno[2,1-c]pyridine-8-carboxamide;5-bromo-3-ethyl-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine-8-carboxamide;7-bromo-3H-indene-4-carboxamide;7-bromo-1-(2-nitrobutyl)-3H-indene-4-carboxamide;tetrakis(carbon dioxide) is sourced from PubChem (CID 159370857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).