2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide

C93H71Cl10F2N15O8 — CID 157373106

IUPAC2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C24H19Cl3N4O2.C24H19Cl2FN4O2.C23H17Cl3N4O2.C22H16Cl2FN3O2/c2*25-16-4-2-14(19(12-16)24(33)30-22-7-5-17(26)13-29-22)11-21(32)18-6-3-15(10-20(18)27)23(28)31-8-1-9-31;24-15-3-1-13(18(11-15)23(32)29-21-6-4-16(25)12-28-21)10-20(31)17-5-2-14(9-19(17)26)22(27)30-7-8-30;1-12(26)13-3-6-17(19(25)8-13)20(29)9-14-2-4-15(23)10-18(14)22(30)28-21-7-5-16(24)11-27-21/h2*2-7,10,12-13,28H,1,8-9,11H2,(H,29,30,33);1-6,9,11-12,27H,7-8,10H2,(H,28,29,32);2-8,10-11,26H,9H2,1H3,(H,27,28,30)/b2*28-23-;27-22-;26-12+
InChIKeyBJZONUVXLVVPAQ-KWMPYVGSSA-N
MW1919.21 g/mol
LogP21.94
Rot. Bonds24

About 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide

2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide (PubChem CID 157373106) has the molecular formula C93H71Cl10F2N15O8 and a molecular weight of 1919.21 g/mol. Its IUPAC name is 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide
PubChem CID157373106
Molecular FormulaC93H71Cl10F2N15O8
Molecular Weight1919.21 g/mol
Exact Mass1913.25
IUPAC Name2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C24H19Cl3N4O2.C24H19Cl2FN4O2.C23H17Cl3N4O2.C22H16Cl2FN3O2/c2*25-16-4-2-14(19(12-16)24(33)30-22-7-5-17(26)13-29-22)11-21(32)18-6-3-15(10-20(18)27)23(28)31-8-1-9-31;24-15-3-1-13(18(11-15)23(32)29-21-6-4-16(25)12-28-21)10-20(31)17-5-2-14(9-19(17)26)22(27)30-7-8-30;1-12(26)13-3-6-17(19(25)8-13)20(29)9-14-2-4-15(23)10-18(14)22(30)28-21-7-5-16(24)11-27-21/h2*2-7,10,12-13,28H,1,8-9,11H2,(H,29,30,33);1-6,9,11-12,27H,7-8,10H2,(H,28,29,32);2-8,10-11,26H,9H2,1H3,(H,27,28,30)/b2*28-23-;27-22-;26-12+
InChIKeyBJZONUVXLVVPAQ-KWMPYVGSSA-N
XLogP21.94
TPSA341.13 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001919.21
LogP ≤ 521.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide (CID 157373106) is 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide is [H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.[H]/N=C(\C)c1ccc(C(=O)Cc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide?
The InChIKey is BJZONUVXLVVPAQ-KWMPYVGSSA-N. The full InChI is InChI=1S/C24H19Cl3N4O2.C24H19Cl2FN4O2.C23H17Cl3N4O2.C22H16Cl2FN3O2/c2*25-16-4-2-14(19(12-16)24(33)30-22-7-5-17(26)13-29-22)11-21(32)18-6-3-15(10-20(18)27)23(28)31-8-1-9-31;24-15-3-1-13(18(11-15)23(32)29-21-6-4-16(25)12-28-21)10-20(31)17-5-2-14(9-19(17)26)22(27)30-7-8-30;1-12(26)13-3-6-17(19(25)8-13)20(29)9-14-2-4-15(23)10-18(14)22(30)28-21-7-5-16(24)11-27-21/h2*2-7,10,12-13,28H,1,8-9,11H2,(H,29,30,33);1-6,9,11-12,27H,7-8,10H2,(H,28,29,32);2-8,10-11,26H,9H2,1H3,(H,27,28,30)/b2*28-23-;27-22-;26-12+.
What are the key properties of 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide?
2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide has a molecular weight of 1919.21 g/mol, XLogP of 21.94, 24 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(azetidine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(azetidine-1-carboximidoyl)-2-fluorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;2-[2-[4-(aziridine-1-carboximidoyl)-2-chlorophenyl]-2-oxoethyl]-5-chloro-N-(5-chloro-2-pyridinyl)benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoyl-2-fluorophenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 157373106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).