4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide

C91H72Cl10F2N20O8 — CID 157307859

IUPAC4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide
SMILESC/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C23H18Cl3N5O2.C23H18Cl2FN5O2.C23H20Cl2FN5O2.C22H16Cl3N5O2/c2*24-14-3-6-19(17(11-14)23(33)30-20-7-4-15(25)12-28-20)29-22(32)16-5-2-13(10-18(16)26)21(27)31-8-1-9-31;1-27-21(31(2)3)13-4-7-16(18(26)10-13)22(32)29-19-8-5-14(24)11-17(19)23(33)30-20-9-6-15(25)12-28-20;23-13-2-5-18(16(10-13)22(32)29-19-6-3-14(24)11-27-19)28-21(31)15-4-1-12(9-17(15)25)20(26)30-7-8-30/h2*2-7,10-12,27H,1,8-9H2,(H,29,32)(H,28,30,33);4-12H,1-3H3,(H,29,32)(H,28,30,33);1-6,9-11,26H,7-8H2,(H,28,31)(H,27,29,32)/b3*27-21-;26-20-
InChIKeyBCRTXBMPDSJVAH-IAIWPDKXSA-N
MW1966.23 g/mol
LogP20.80
Rot. Bonds20

About 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide

4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide (PubChem CID 157307859) has the molecular formula C91H72Cl10F2N20O8 and a molecular weight of 1966.23 g/mol. Its IUPAC name is 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide.

Molecular Properties

Compound Name4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide
PubChem CID157307859
Molecular FormulaC91H72Cl10F2N20O8
Molecular Weight1966.23 g/mol
Exact Mass1960.27
IUPAC Name4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide
SMILESC/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
InChIInChI=1S/C23H18Cl3N5O2.C23H18Cl2FN5O2.C23H20Cl2FN5O2.C22H16Cl3N5O2/c2*24-14-3-6-19(17(11-14)23(33)30-20-7-4-15(25)12-28-20)29-22(32)16-5-2-13(10-18(16)26)21(27)31-8-1-9-31;1-27-21(31(2)3)13-4-7-16(18(26)10-13)22(32)29-19-8-5-14(24)11-17(19)23(33)30-20-9-6-15(25)12-28-20;23-13-2-5-18(16(10-13)22(32)29-19-6-3-14(24)11-27-19)28-21(31)15-4-1-12(9-17(15)25)20(26)30-7-8-30/h2*2-7,10-12,27H,1,8-9H2,(H,29,32)(H,28,30,33);4-12H,1-3H3,(H,29,32)(H,28,30,33);1-6,9-11,26H,7-8H2,(H,28,31)(H,27,29,32)/b3*27-21-;26-20-
InChIKeyBCRTXBMPDSJVAH-IAIWPDKXSA-N
XLogP20.80
TPSA381.00 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001966.23
LogP ≤ 520.80
H-Bond Donors ≤ 511
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide?
The IUPAC name of 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide (CID 157307859) is 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide.
What is the SMILES notation for 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide?
The canonical SMILES for 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide is C/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(Cl)c1)N1CCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1.
What is the InChIKey of 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide?
The InChIKey is BCRTXBMPDSJVAH-IAIWPDKXSA-N. The full InChI is InChI=1S/C23H18Cl3N5O2.C23H18Cl2FN5O2.C23H20Cl2FN5O2.C22H16Cl3N5O2/c2*24-14-3-6-19(17(11-14)23(33)30-20-7-4-15(25)12-28-20)29-22(32)16-5-2-13(10-18(16)26)21(27)31-8-1-9-31;1-27-21(31(2)3)13-4-7-16(18(26)10-13)22(32)29-19-8-5-14(24)11-17(19)23(33)30-20-9-6-15(25)12-28-20;23-13-2-5-18(16(10-13)22(32)29-19-6-3-14(24)11-27-19)28-21(31)15-4-1-12(9-17(15)25)20(26)30-7-8-30/h2*2-7,10-12,27H,1,8-9H2,(H,29,32)(H,28,30,33);4-12H,1-3H3,(H,29,32)(H,28,30,33);1-6,9-11,26H,7-8H2,(H,28,31)(H,27,29,32)/b3*27-21-;26-20-.
What are the key properties of 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide?
4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide has a molecular weight of 1966.23 g/mol, XLogP of 20.80, 20 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;4-(azetidine-1-carboximidoyl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide;4-(aziridine-1-carboximidoyl)-2-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(N,N,N'-trimethylcarbamimidoyl)benzamide is sourced from PubChem (CID 157307859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).