sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide

C96H103BrClF4N8NaO14 — CID 158984301

About sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide

sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide (PubChem CID 158984301) has the molecular formula C96H103BrClF4N8NaO14 and a molecular weight of 1807.26 g/mol. Its IUPAC name is sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide
• PubChem CID: 158984301
• Molecular Formula: C96H103BrClF4N8NaO14
• Molecular Weight: 1807.26 g/mol
• Exact Mass: 1804.63
• IUPAC Name: sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide
• SMILES: CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccccc2F)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccccc1F.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccccc3F)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.Fc1ccccc1CBr.[Na+].[OH-]
• InChI: InChI=1S/C27H28FN3O3.C21H22FNO3.C19H18FNO3.C14H17NO3.C8H11ClN2O.C7H6BrF.Na.H2O/c1-16-12-17(2)30-27(33)23(16)14-29-26(32)22-13-21-9-7-11-31(21)25(18(22)3)19(4)34-15-20-8-5-6-10-24(20)28;1-4-25-21(24)18-12-17-9-7-11-23(17)20(14(18)2)15(3)26-13-16-8-5-6-10-19(16)22;1-12-16(19(22)23)10-15-7-5-9-21(15)18(12)13(2)24-11-14-6-3-4-8-17(14)20;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;8-5-6-3-1-2-4-7(6)9;;/h5-13,19H,14-15H2,1-4H3,(H,29,32)(H,30,33);5-12,15H,4,13H2,1-3H3;3-10,13H,11H2,1-2H3,(H,22,23);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-4H,5H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: JPJNPFYEGFNNOL-UHFFFAOYSA-M
• XLogP: 17.36
• TPSA: 292.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.26
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide?

The IUPAC name of sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide (CID 158984301) is sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide?

The canonical SMILES for sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide is CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccccc2F)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccccc1F.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccccc3F)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.Fc1ccccc1CBr.[Na+].[OH-].

What is the InChIKey of sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide?

The InChIKey is JPJNPFYEGFNNOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H28FN3O3.C21H22FNO3.C19H18FNO3.C14H17NO3.C8H11ClN2O.C7H6BrF.Na.H2O/c1-16-12-17(2)30-27(33)23(16)14-29-26(32)22-13-21-9-7-11-31(21)25(18(22)3)19(4)34-15-20-8-5-6-10-24(20)28;1-4-25-21(24)18-12-17-9-7-11-23(17)20(14(18)2)15(3)26-13-16-8-5-6-10-19(16)22;1-12-16(19(22)23)10-15-7-5-9-21(15)18(12)13(2)24-11-14-6-3-4-8-17(14)20;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;8-5-6-3-1-2-4-7(6)9;;/h5-13,19H,14-15H2,1-4H3,(H,29,32)(H,30,33);5-12,15H,4,13H2,1-3H3;3-10,13H,11H2,1-2H3,(H,22,23);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-4H,5H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide?

sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide has a molecular weight of 1807.26 g/mol, XLogP of 17.36, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(bromomethyl)-2-fluorobenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide;ethyl 5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylate;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;5-[1-[(2-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxylic acid;hydroxide is sourced from PubChem (CID 158984301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).