2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide

C88H72Br4F4N20O8 — CID 158506154

IUPAC2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCN2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCC1
InChIInChI=1S/C23H19BrFN5O2.C22H17BrFN5O2.C22H19BrFN5O2.C21H17BrFN5O2/c24-16-6-9-20(27-13-16)29-23(32)18-12-17(25)7-8-19(18)28-22(31)15-4-2-14(3-5-15)21(26)30-10-1-11-30;23-15-5-8-19(27-12-15)29-22(31)17-11-16(24)6-7-18(17)28-21(30)14-3-1-13(2-4-14)20-25-9-10-26-20;1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-8-16(24)11-17(18)22(31)28-19-10-7-15(23)12-26-19;1-25-19(24)12-2-4-13(5-3-12)20(29)27-17-8-7-15(23)10-16(17)21(30)28-18-9-6-14(22)11-26-18/h2-9,12-13,26H,1,10-11H2,(H,28,31)(H,27,29,32);1-8,11-12H,9-10H2,(H,25,26)(H,28,30)(H,27,29,31);3-12,25H,1-2H3,(H,27,30)(H,26,28,31);2-11H,1H3,(H2,24,25)(H,27,29)(H,26,28,30)/b26-21-;;25-20-;
InChIKeyHKMIUGGACHSXOW-GGBRJJCCSA-N
MW1933.28 g/mol
LogP16.55
Rot. Bonds20

About 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide

2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide (PubChem CID 158506154) has the molecular formula C88H72Br4F4N20O8 and a molecular weight of 1933.28 g/mol. Its IUPAC name is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
PubChem CID158506154
Molecular FormulaC88H72Br4F4N20O8
Molecular Weight1933.28 g/mol
Exact Mass1928.25
IUPAC Name2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCN2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCC1
InChIInChI=1S/C23H19BrFN5O2.C22H17BrFN5O2.C22H19BrFN5O2.C21H17BrFN5O2/c24-16-6-9-20(27-13-16)29-23(32)18-12-17(25)7-8-19(18)28-22(31)15-4-2-14(3-5-15)21(26)30-10-1-11-30;23-15-5-8-19(27-12-15)29-22(31)17-11-16(24)6-7-18(17)28-21(30)14-3-1-13(2-4-14)20-25-9-10-26-20;1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-8-16(24)11-17(18)22(31)28-19-10-7-15(23)12-26-19;1-25-19(24)12-2-4-13(5-3-12)20(29)27-17-8-7-15(23)10-16(17)21(30)28-18-9-6-14(22)11-26-18/h2-9,12-13,26H,1,10-11H2,(H,28,31)(H,27,29,32);1-8,11-12H,9-10H2,(H,25,26)(H,28,30)(H,27,29,31);3-12,25H,1-2H3,(H,27,30)(H,26,28,31);2-11H,1H3,(H2,24,25)(H,27,29)(H,26,28,30)/b26-21-;;25-20-;
InChIKeyHKMIUGGACHSXOW-GGBRJJCCSA-N
XLogP16.55
TPSA401.31 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.28
LogP ≤ 516.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide
CID 10117573
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10206282
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 10209154
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 10228526
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 10279353
N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10279793
N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide
CID 10299693
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10300703
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 10301773
2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide
CID 18727626
4-(azetidine-1-carboximidoyl)-N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide
CID 18727738
4-(azetidine-1-carboximidoyl)-N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluorobenzamide
CID 18727739

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide (CID 158506154) is 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide is C/N=C(\N)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1.O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Br)cn1)c1ccc(C2=NCCN2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCC1.
What is the InChIKey of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
The InChIKey is HKMIUGGACHSXOW-GGBRJJCCSA-N. The full InChI is InChI=1S/C23H19BrFN5O2.C22H17BrFN5O2.C22H19BrFN5O2.C21H17BrFN5O2/c24-16-6-9-20(27-13-16)29-23(32)18-12-17(25)7-8-19(18)28-22(31)15-4-2-14(3-5-15)21(26)30-10-1-11-30;23-15-5-8-19(27-12-15)29-22(31)17-11-16(24)6-7-18(17)28-21(30)14-3-1-13(2-4-14)20-25-9-10-26-20;1-29(2)20(25)13-3-5-14(6-4-13)21(30)27-18-9-8-16(24)11-17(18)22(31)28-19-10-7-15(23)12-26-19;1-25-19(24)12-2-4-13(5-3-12)20(29)27-17-8-7-15(23)10-16(17)21(30)28-18-9-6-14(22)11-26-18/h2-9,12-13,26H,1,10-11H2,(H,28,31)(H,27,29,32);1-8,11-12H,9-10H2,(H,25,26)(H,28,30)(H,27,29,31);3-12,25H,1-2H3,(H,27,30)(H,26,28,31);2-11H,1H3,(H2,24,25)(H,27,29)(H,26,28,30)/b26-21-;;25-20-;.
What are the key properties of 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide?
2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide has a molecular weight of 1933.28 g/mol, XLogP of 16.55, 20 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 158506154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).