N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide

C41H29Cl2F5N6O2 — CID 159307138

IUPACN-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1.O=C(Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1)c1ccccc1F
InChIInChI=1S/C21H16ClF2N3O.C20H13ClF3N3O/c1-12-4-2-3-5-15(12)20(28)27-19-11-25-18(10-26-19)16-6-13-8-21(23,24)9-14(13)7-17(16)22;21-15-6-12-8-20(23,24)7-11(12)5-14(15)17-9-26-18(10-25-17)27-19(28)13-3-1-2-4-16(13)22/h2-7,10-11H,8-9H2,1H3,(H,26,27,28);1-6,9-10H,7-8H2,(H,26,27,28)
InChIKeyLCBFPJXPFRBEFT-UHFFFAOYSA-N
MW803.62 g/mol
LogP10.01
Rot. Bonds6

About N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide

N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide (PubChem CID 159307138) has the molecular formula C41H29Cl2F5N6O2 and a molecular weight of 803.62 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide
PubChem CID159307138
Molecular FormulaC41H29Cl2F5N6O2
Molecular Weight803.62 g/mol
Exact Mass802.16
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1.O=C(Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1)c1ccccc1F
InChIInChI=1S/C21H16ClF2N3O.C20H13ClF3N3O/c1-12-4-2-3-5-15(12)20(28)27-19-11-25-18(10-26-19)16-6-13-8-21(23,24)9-14(13)7-17(16)22;21-15-6-12-8-20(23,24)7-11(12)5-14(15)17-9-26-18(10-25-17)27-19(28)13-3-1-2-4-16(13)22/h2-7,10-11H,8-9H2,1H3,(H,26,27,28);1-6,9-10H,7-8H2,(H,26,27,28)
InChIKeyLCBFPJXPFRBEFT-UHFFFAOYSA-N
XLogP10.01
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.62
LogP ≤ 510.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide with MolForge

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Related Compounds

N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
CID 58487482
N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 162060237
2-chloro-N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]benzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-methylbenzamide;2-chloro-N-[5-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]benzamide
CID 159636979
2-chloro-N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]benzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(5-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]-2-fluorobenzamide;2,6-difluoro-N-[5-(5-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridinyl]benzamide
CID 160640447
N-[5-(6-chloro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide
CID 118343572
2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
CID 58487435
5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;dichloromethane;2-fluorobenzoyl chloride;methane
CID 158708379
2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487360
N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-hydroxybenzamide
CID 140627890
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-chloro-N-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-chloro-N-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)pyrazin-2-yl]benzamide;2-fluoro-N-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 157291610
N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]cyclobutanecarboxamide;N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]cyclopentanecarboxamide;N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)pyrazin-2-yl]-2-methylpropanamide;N-[5-(2,2-difluoro-7-methyl-3H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,3-difluoro-7-methyl-2H-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylpropanamide
CID 158400268

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide?
The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide (CID 159307138) is N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1.O=C(Nc1cnc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1)c1ccccc1F.
What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide?
The InChIKey is LCBFPJXPFRBEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N3O.C20H13ClF3N3O/c1-12-4-2-3-5-15(12)20(28)27-19-11-25-18(10-26-19)16-6-13-8-21(23,24)9-14(13)7-17(16)22;21-15-6-12-8-20(23,24)7-11(12)5-14(15)17-9-26-18(10-25-17)27-19(28)13-3-1-2-4-16(13)22/h2-7,10-11H,8-9H2,1H3,(H,26,27,28);1-6,9-10H,7-8H2,(H,26,27,28).
What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide?
N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide has a molecular weight of 803.62 g/mol, XLogP of 10.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(6-chloro-2,2-difluoro-1,3-dihydroinden-5-yl)pyrazin-2-yl]-2-methylbenzamide is sourced from PubChem (CID 159307138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).