N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide

C72H62Br2ClF4N15O7S — CID 158056028

About N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide

N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide (PubChem CID 158056028) has the molecular formula C72H62Br2ClF4N15O7S and a molecular weight of 1552.71 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide
• PubChem CID: 158056028
• Molecular Formula: C72H62Br2ClF4N15O7S
• Molecular Weight: 1552.71 g/mol
• Exact Mass: 1549.27
• IUPAC Name: N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide
• SMILES: [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCSCC1
• InChI: InChI=1S/C24H21BrFN5O2S.C24H21BrFN5O2.C24H20ClF2N5O3/c25-16-6-8-21(28-14-16)30-24(33)18-3-1-2-4-20(18)29-23(32)17-7-5-15(13-19(17)26)22(27)31-9-11-34-12-10-31;25-16-8-10-21(28-14-16)30-24(33)18-5-1-2-6-20(18)29-23(32)17-9-7-15(13-19(17)26)22(27)31-11-3-4-12-31;25-15-2-6-21(29-13-15)31-24(34)18-12-16(26)3-5-20(18)30-23(33)17-4-1-14(11-19(17)27)22(28)32-7-9-35-10-8-32/h1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);1-2,5-10,13-14,27H,3-4,11-12H2,(H,29,32)(H,28,30,33);1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34)/b2*27-22-;28-22-
• InChIKey: FKBHHJZZTUEWRG-NOSBQXOYSA-N
• XLogP: 13.95
• TPSA: 303.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1552.71
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide?

The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide (CID 158056028) is N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide.

What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide?

The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCSCC1.

What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide?

The InChIKey is FKBHHJZZTUEWRG-NOSBQXOYSA-N. The full InChI is InChI=1S/C24H21BrFN5O2S.C24H21BrFN5O2.C24H20ClF2N5O3/c25-16-6-8-21(28-14-16)30-24(33)18-3-1-2-4-20(18)29-23(32)17-7-5-15(13-19(17)26)22(27)31-9-11-34-12-10-31;25-16-8-10-21(28-14-16)30-24(33)18-5-1-2-6-20(18)29-23(32)17-9-7-15(13-19(17)26)22(27)31-11-3-4-12-31;25-15-2-6-21(29-13-15)31-24(34)18-12-16(26)3-5-20(18)30-23(33)17-4-1-14(11-19(17)27)22(28)32-7-9-35-10-8-32/h1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);1-2,5-10,13-14,27H,3-4,11-12H2,(H,29,32)(H,28,30,33);1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34)/b2*27-22-;28-22-.

What are the key properties of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide?

N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide has a molecular weight of 1552.71 g/mol, XLogP of 13.95, 15 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide is sourced from PubChem (CID 158056028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).