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

C97H82Br4F8N20O9S — CID 158438918

IUPACN-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCSCC1
InChIInChI=1S/C25H22BrF2N5O2.C24H20BrF2N5O3.C24H20BrF2N5O2S.C24H20BrF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;2*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;25-15-4-8-21(29-13-15)31-24(34)18-12-16(26)5-7-20(18)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2*1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34)/b29-23-;3*28-22-
InChIKeyHCONSUJGNYKYFP-JZCKXPISSA-N
MW2175.52 g/mol
LogP19.77
Rot. Bonds20

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

N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide (PubChem CID 158438918) has the molecular formula C97H82Br4F8N20O9S and a molecular weight of 2175.52 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
PubChem CID158438918
Molecular FormulaC97H82Br4F8N20O9S
Molecular Weight2175.52 g/mol
Exact Mass2170.29
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCSCC1
InChIInChI=1S/C25H22BrF2N5O2.C24H20BrF2N5O3.C24H20BrF2N5O2S.C24H20BrF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;2*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;25-15-4-8-21(29-13-15)31-24(34)18-12-16(26)5-7-20(18)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2*1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34)/b29-23-;3*28-22-
InChIKeyHCONSUJGNYKYFP-JZCKXPISSA-N
XLogP19.77
TPSA401.95 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002175.52
LogP ≤ 519.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide
CID 18727945
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 18727948
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 18727952
N-(5-bromo-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-5-methylbenzamide
CID 90911924
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-carbamimidoyl-2-fluorobenzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 157321999
2-[[4-(azocane-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 157324255
2-[2-[4-(azocane-1-carboximidoyl)phenyl]-2-oxoethyl]-N-(5-bromo-2-pyridinyl)benzamide;N-(5-bromo-2-pyridinyl)-2-[2-[4-(2-methylpyrrolidine-1-carboximidoyl)phenyl]-2-oxoethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;N-(5-bromo-2-pyridinyl)-2-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]benzamide
CID 157499113
N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 157503736
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);thiomorpholin-4-ylmethanimine
CID 157559193
N-(5-bromo-2-pyridinyl)-2-[(4-carbamimidoylbenzoyl)amino]-4,5-difluorobenzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-4,5-difluoro-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[(4-ethanimidoylbenzoyl)amino]-4,5-difluorobenzamide
CID 157667573
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 157698931
4-(azetidine-1-carboximidoyl)-N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(N'-methylcarbamimidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 157823788

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide (CID 158438918) is N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCOCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Br)cn2)c(F)c1)N1CCSCC1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The InChIKey is HCONSUJGNYKYFP-JZCKXPISSA-N. The full InChI is InChI=1S/C25H22BrF2N5O2.C24H20BrF2N5O3.C24H20BrF2N5O2S.C24H20BrF2N5O2/c26-16-5-9-22(30-14-16)32-25(35)19-13-17(27)6-8-21(19)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;2*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;25-15-4-8-21(29-13-15)31-24(34)18-12-16(26)5-7-20(18)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2*1-6,11-13,28H,7-10H2,(H,30,33)(H,29,31,34);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34)/b29-23-;3*28-22-.
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide has a molecular weight of 2175.52 g/mol, XLogP of 19.77, 20 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide is sourced from PubChem (CID 158438918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).