About 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline
4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline (PubChem CID 165052611) has the molecular formula C172H191Br6Cl2N33O18
and a molecular weight of 3558.96 g/mol. Its IUPAC name is 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline.
Frequently Asked Questions
What is the IUPAC name of 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline?
The IUPAC name of 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline (CID 165052611) is 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline.
What is the SMILES notation for 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline?
The canonical SMILES for 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline is Brc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCCC5)c24)CN(C(=O)c2ccc(Br)c(Cl)c2)CC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CCCC5)c24)CNCC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3ccncc3n3ncc(CC4CCCC4)c23)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(NC(=O)c2ccncc2Br)cc1.O=C(O)c1ccc(Br)c(Cl)c1.O=C(O)c1ccncc1Br.O=CC1CCCC1.OC(c1cnn(C2CCCCO2)c1)C1CCCC1.c1cnc2c(c1)ccc1cccnc12.c1n[nH]cc1CC1CCCC1.c1n[nH]cc1CC1CCCC1.
What is the InChIKey of 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline?
The InChIKey is PXEUZBVAAFSDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29BrClN5O3.C23H27N5O2.C23H23N5O2.C14H12BrN3O2.C14H22N2O2.C12H8N2.2C9H14N2.C8H11BrN2O.C8H10N2O.C7H4BrClO2.C6H4BrNO2.C6H10O.C3H3BrN2/c1-33-27(38)19-6-9-22(10-7-19)36-28-21(14-18-4-2-3-5-18)16-34-37(28)26-17-35(13-12-23(26)30(36)40)29(39)20-8-11-24(31)25(32)15-20;2*1-24-21(29)16-6-8-18(9-7-16)27-22-17(12-15-4-2-3-5-15)13-26-28(22)20-14-25-11-10-19(20)23(27)30;1-16-13(19)9-2-4-10(5-3-9)18-14(20)11-6-7-17-8-12(11)15;17-14(11-5-1-2-6-11)12-9-15-16(10-12)13-7-3-4-8-18-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2-4-8(3-1)5-9-6-10-11-7-9;9-7-5-10-11(6-7)8-3-1-2-4-12-8;1-10-8(11)6-2-4-7(9)5-3-6;8-5-2-1-4(7(10)11)3-6(5)9;7-5-3-8-2-1-4(5)6(9)10;7-5-6-3-1-2-4-6;4-3-1-5-6-2-3/h6-11,15-16,18H,2-5,12-14,17H2,1H3,(H,33,38);6-9,13,15,25H,2-5,10-12,14H2,1H3,(H,24,29);6-11,13-15H,2-5,12H2,1H3,(H,24,29);2-8H,1H3,(H,16,19)(H,18,20);9-11,13-14,17H,1-8H2;1-8H;2*6-8H,1-5H2,(H,10,11);5-6,8H,1-4H2;2-5H,9H2,1H3,(H,10,11);1-3H,(H,10,11);1-3H,(H,9,10);5-6H,1-4H2;1-2H,(H,5,6).
What are the key properties of 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline?
4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline has a molecular weight of 3558.96 g/mol, XLogP of 32.73, 28 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methylbenzamide;4-bromo-3-chlorobenzoic acid;4-[12-(4-bromo-3-chlorobenzoyl)-5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopentanecarbaldehyde;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopentylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopentylmethyl)-1H-pyrazole);cyclopentyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol;1,10-phenanthroline is sourced from PubChem (CID 165052611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).