N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine

C112H96Cl3F6N21O10 — CID 157460325

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1.O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccccc1F.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C/N1CCCC1
InChIInChI=1S/C25H22ClF2N5O2.C23H18ClF2N5O2.2C20H17N3O2.C19H12ClF2N3O2.C5H10N2/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;1-31-9-8-27-21(31)13-2-5-16(18(26)10-13)22(32)29-19-6-4-15(25)11-17(19)23(33)30-20-7-3-14(24)12-28-20;2*1-14-9-11-15(12-10-14)19(24)22-17-7-3-2-6-16(17)20(25)23-18-8-4-5-13-21-18;20-11-5-8-17(23-10-11)25-19(27)14-9-12(21)6-7-16(14)24-18(26)13-3-1-2-4-15(13)22;6-5-7-3-1-2-4-7/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2-7,10-12H,8-9H2,1H3,(H,29,32)(H,28,30,33);2*2-13H,1H3,(H,22,24)(H,21,23,25);1-10H,(H,24,26)(H,23,25,27);5-6H,1-4H2/b29-23-;;;;;6-5+
InChIKeyBTVPSIGQVXRAPU-SRLDNARFSA-N
MW2116.48 g/mol
LogP22.54
Rot. Bonds23

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine (PubChem CID 157460325) has the molecular formula C112H96Cl3F6N21O10 and a molecular weight of 2116.48 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine
PubChem CID157460325
Molecular FormulaC112H96Cl3F6N21O10
Molecular Weight2116.48 g/mol
Exact Mass2113.66
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1.O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccccc1F.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C/N1CCCC1
InChIInChI=1S/C25H22ClF2N5O2.C23H18ClF2N5O2.2C20H17N3O2.C19H12ClF2N3O2.C5H10N2/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;1-31-9-8-27-21(31)13-2-5-16(18(26)10-13)22(32)29-19-6-4-15(25)11-17(19)23(33)30-20-7-3-14(24)12-28-20;2*1-14-9-11-15(12-10-14)19(24)22-17-7-3-2-6-16(17)20(25)23-18-8-4-5-13-21-18;20-11-5-8-17(23-10-11)25-19(27)14-9-12(21)6-7-16(14)24-18(26)13-3-1-2-4-15(13)22;6-5-7-3-1-2-4-7/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2-7,10-12H,8-9H2,1H3,(H,29,32)(H,28,30,33);2*2-13H,1H3,(H,22,24)(H,21,23,25);1-10H,(H,24,26)(H,23,25,27);5-6H,1-4H2/b29-23-;;;;;6-5+
InChIKeyBTVPSIGQVXRAPU-SRLDNARFSA-N
XLogP22.54
TPSA425.23 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002116.48
LogP ≤ 522.54
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-5-fluorobenzamide
CID 10225234
N-(5-chloropyridin-2-yl)-2-(4-(imino(4-methylpiperazin-1-yl)methyl)benzamido)benzamide
CID 18727967
N-(5-chloropyridin-2-yl)-2-(4-(imino(piperazin-1-yl)methyl)benzamido)benzamide
CID 18728129
5-Chloro-N-(5-chloro-pyridin-2-yl)-2-{4-[4-(1-imino-ethyl)-piperazin-1-ylmethyl]-benzoylamino}-benzamide
CID 44387104
US12378224, Example 780
CID 142325981
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 9871072
N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 10116667
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
CID 10117793
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10139275
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 10140047
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
CID 10140843
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 10142460

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine (CID 157460325) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine is CN1CCN=C1c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc1.O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cn1)c1ccccc1F.[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C/N1CCCC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine?
The InChIKey is BTVPSIGQVXRAPU-SRLDNARFSA-N. The full InChI is InChI=1S/C25H22ClF2N5O2.C23H18ClF2N5O2.2C20H17N3O2.C19H12ClF2N3O2.C5H10N2/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;1-31-9-8-27-21(31)13-2-5-16(18(26)10-13)22(32)29-19-6-4-15(25)11-17(19)23(33)30-20-7-3-14(24)12-28-20;2*1-14-9-11-15(12-10-14)19(24)22-17-7-3-2-6-16(17)20(25)23-18-8-4-5-13-21-18;20-11-5-8-17(23-10-11)25-19(27)14-9-12(21)6-7-16(14)24-18(26)13-3-1-2-4-15(13)22;6-5-7-3-1-2-4-7/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);2-7,10-12H,8-9H2,1H3,(H,29,32)(H,28,30,33);2*2-13H,1H3,(H,22,24)(H,21,23,25);1-10H,(H,24,26)(H,23,25,27);5-6H,1-4H2/b29-23-;;;;;6-5+.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine has a molecular weight of 2116.48 g/mol, XLogP of 22.54, 23 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 157460325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).