bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)

C124H122Cl4F10N24O30 — CID 159142361

About bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)

bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide) (PubChem CID 159142361) has the molecular formula C124H122Cl4F10N24O30 and a molecular weight of 2760.27 g/mol. Its IUPAC name is bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide).

Molecular Properties

• Compound Name: bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)
• PubChem CID: 159142361
• Molecular Formula: C124H122Cl4F10N24O30
• Molecular Weight: 2760.27 g/mol
• Exact Mass: 2756.74
• IUPAC Name: bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)
• SMILES: CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c(O)c(n32)C1=O.CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c(O)c(n32)C1=O.CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c(n32)C1=O.CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c(n32)C1=O.COC1CN2CN(CC3CC3)C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)c(Cl)c4)c1n32.COC1CN2CN(CC3CC3)C(=O)c3c(O)c(=O)c(C(=O)NCc4cccc(Cl)c4F)c1n32
• InChI: InChI=1S/2C22H22ClFN4O5.2C20H19ClF2N4O5.2C20H20F2N4O5/c1-33-15-9-27-10-26(8-11-2-3-11)22(32)18-20(30)19(29)16(17(15)28(18)27)21(31)25-7-12-4-5-14(24)13(23)6-12;1-33-14-9-27-10-26(8-11-5-6-11)22(32)18-20(30)19(29)15(17(14)28(18)27)21(31)25-7-12-3-2-4-13(23)16(12)24;2*1-3-25-8-26-7-11(32-2)15-12(17(28)18(29)16(20(25)31)27(15)26)19(30)24-6-9-4-5-10(22)13(21)14(9)23;2*1-3-24-9-25-8-13(31-2)15-14(17(27)18(28)16(20(24)30)26(15)25)19(29)23-7-10-4-5-11(21)6-12(10)22/h4-6,11,15,30H,2-3,7-10H2,1H3,(H,25,31);2-4,11,14,30H,5-10H2,1H3,(H,25,31);2*4-5,11,29H,3,6-8H2,1-2H3,(H,24,30);2*4-6,13,28H,3,7-9H2,1-2H3,(H,23,29)
• InChIKey: KIGBVLXHEKTVQS-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 624.66 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2760.27
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)?

The IUPAC name of bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide) (CID 159142361) is bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide).

What is the SMILES notation for bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)?

The canonical SMILES for bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide) is CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c(O)c(n32)C1=O.CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)c(Cl)c4F)c(=O)c(O)c(n32)C1=O.CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c(n32)C1=O.CCN1CN2CC(OC)c3c(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c(n32)C1=O.COC1CN2CN(CC3CC3)C(=O)c3c(O)c(=O)c(C(=O)NCc4ccc(F)c(Cl)c4)c1n32.COC1CN2CN(CC3CC3)C(=O)c3c(O)c(=O)c(C(=O)NCc4cccc(Cl)c4F)c1n32.

What is the InChIKey of bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)?

The InChIKey is KIGBVLXHEKTVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22ClFN4O5.2C20H19ClF2N4O5.2C20H20F2N4O5/c1-33-15-9-27-10-26(8-11-2-3-11)22(32)18-20(30)19(29)16(17(15)28(18)27)21(31)25-7-12-4-5-14(24)13(23)6-12;1-33-14-9-27-10-26(8-11-5-6-11)22(32)18-20(30)19(29)15(17(14)28(18)27)21(31)25-7-12-3-2-4-13(23)16(12)24;2*1-3-25-8-26-7-11(32-2)15-12(17(28)18(29)16(20(25)31)27(15)26)19(30)24-6-9-4-5-10(22)13(21)14(9)23;2*1-3-24-9-25-8-13(31-2)15-14(17(27)18(28)16(20(24)30)26(15)25)19(29)23-7-10-4-5-11(21)6-12(10)22/h4-6,11,15,30H,2-3,7-10H2,1H3,(H,25,31);2-4,11,14,30H,5-10H2,1H3,(H,25,31);2*4-5,11,29H,3,6-8H2,1-2H3,(H,24,30);2*4-6,13,28H,3,7-9H2,1-2H3,(H,23,29).

What are the key properties of bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide)?

bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide) has a molecular weight of 2760.27 g/mol, XLogP of 8.12, 32 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[(3-chloro-2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide);N-[(3-chloro-2-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;N-[(3-chloro-4-fluorophenyl)methyl]-10-(cyclopropylmethyl)-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide;bis(N-[(2,4-difluorophenyl)methyl]-10-ethyl-7-hydroxy-3-methoxy-6,9-dioxo-1,10,12-triazatricyclo[6.3.1.04,12]dodeca-4,7-diene-5-carboxamide) is sourced from PubChem (CID 159142361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).