5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide

C66H54Br3Cl3N12O6 — CID 159472801

IUPAC5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(\N)c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H20BrClN4O2.C22H18BrClN4O2.C21H16BrClN4O2/c1-29(2)22(26)15-5-3-14(4-6-15)20(30)11-16-7-8-17(24)12-19(16)23(31)28-21-10-9-18(25)13-27-21;1-26-21(25)14-4-2-13(3-5-14)19(29)10-15-6-7-16(23)11-18(15)22(30)28-20-9-8-17(24)12-27-20;22-15-6-5-14(9-18(28)12-1-3-13(4-2-12)20(24)25)17(10-15)21(29)27-19-8-7-16(23)11-26-19/h3-10,12-13,26H,11H2,1-2H3,(H,27,28,31);2-9,11-12H,10H2,1H3,(H2,25,26)(H,27,28,30);1-8,10-11H,9H2,(H3,24,25)(H,26,27,29)/b26-22-;;
InChIKeyLVZYMAGNLKLHPF-WMFGPHSGSA-N
MW1457.31 g/mol
LogP14.03
Rot. Bonds18

About 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide

5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide (PubChem CID 159472801) has the molecular formula C66H54Br3Cl3N12O6 and a molecular weight of 1457.31 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
PubChem CID159472801
Molecular FormulaC66H54Br3Cl3N12O6
Molecular Weight1457.31 g/mol
Exact Mass1452.09
IUPAC Name5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
SMILESC/N=C(\N)c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(\N)c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C23H20BrClN4O2.C22H18BrClN4O2.C21H16BrClN4O2/c1-29(2)22(26)15-5-3-14(4-6-15)20(30)11-16-7-8-17(24)12-19(16)23(31)28-21-10-9-18(25)13-27-21;1-26-21(25)14-4-2-13(3-5-14)19(29)10-15-6-7-16(23)11-18(15)22(30)28-20-9-8-17(24)12-27-20;22-15-6-5-14(9-18(28)12-1-3-13(4-2-12)20(24)25)17(10-15)21(29)27-19-8-7-16(23)11-26-19/h3-10,12-13,26H,11H2,1-2H3,(H,27,28,31);2-9,11-12H,10H2,1H3,(H2,25,26)(H,27,28,30);1-8,10-11H,9H2,(H3,24,25)(H,26,27,29)/b26-22-;;
InChIKeyLVZYMAGNLKLHPF-WMFGPHSGSA-N
XLogP14.03
TPSA292.52 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001457.31
LogP ≤ 514.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585413
N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide
CID 59585434
N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585444
N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585463
N-(5-bromo-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 59585478
N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide)
CID 91354821
N-(5-bromo-2-pyridinyl)-4-[[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]benzenecarboximidoyl]-methylamino]methyl]-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide
CID 142082971
N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(N,N-dimethylcarbamimidoyl)phenyl]phenyl]-2-oxoethyl]benzamide
CID 148890461
5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 149169697
Amino 4-[2-[4-bromo-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]acetyl]benzenecarboximidate
CID 149262932
2-[[4-[N-[[4-[(5-bromo-2-pyridinyl)carbamoyl]-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]methyl]-N-methylcarbamimidoyl]benzoyl]amino]-4-[[[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]benzenecarboximidoyl]-methylamino]methyl]-N-(5-chloro-2-pyridinyl)benzamide
CID 154534846
N-(5-bromo-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]-5-methylbenzamide
CID 157133396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide?
The IUPAC name of 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide (CID 159472801) is 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide?
The canonical SMILES for 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide is C/N=C(\N)c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(\N)c1ccc(C(=O)Cc2ccc(Br)cc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide?
The InChIKey is LVZYMAGNLKLHPF-WMFGPHSGSA-N. The full InChI is InChI=1S/C23H20BrClN4O2.C22H18BrClN4O2.C21H16BrClN4O2/c1-29(2)22(26)15-5-3-14(4-6-15)20(30)11-16-7-8-17(24)12-19(16)23(31)28-21-10-9-18(25)13-27-21;1-26-21(25)14-4-2-13(3-5-14)19(29)10-15-6-7-16(23)11-18(15)22(30)28-20-9-8-17(24)12-27-20;22-15-6-5-14(9-18(28)12-1-3-13(4-2-12)20(24)25)17(10-15)21(29)27-19-8-7-16(23)11-26-19/h3-10,12-13,26H,11H2,1-2H3,(H,27,28,31);2-9,11-12H,10H2,1H3,(H2,25,26)(H,27,28,30);1-8,10-11H,9H2,(H3,24,25)(H,26,27,29)/b26-22-;;.
What are the key properties of 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide?
5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide has a molecular weight of 1457.31 g/mol, XLogP of 14.03, 18 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-carbamimidoylphenyl)-2-oxoethyl]-N-(5-chloro-2-pyridinyl)benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N,N-dimethylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide;5-bromo-N-(5-chloro-2-pyridinyl)-2-[2-[4-(N'-methylcarbamimidoyl)phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 159472801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).