N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide (PubChem CID 158052290) has the molecular formula C105H90Cl6F12N14O19 and a molecular weight of 2292.65 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide.

Molecular Properties

Compound Name	N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide
PubChem CID	158052290
Molecular Formula	C105H90Cl6F12N14O19
Molecular Weight	2292.65 g/mol
Exact Mass	2288.44
IUPAC Name	N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide
SMILES	CCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCCCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCO1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1
InChI	InChI=1S/2C19H17ClF2N2O3.C18H15ClF2N2O4.C18H17ClF2N2O3.C16H12ClF2N3O3.C15H12ClF2N3O3/c220-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11;19-12-8-15-14(26-18(20,21)27-15)7-11(12)10-4-5-16(22-9-10)23-17(24)13-3-1-2-6-25-13;1-2-3-4-5-17(24)23-16-7-6-11(10-22-16)12-8-14-15(9-13(12)19)26-18(20,21)25-14;17-10-5-13-12(24-16(18,19)25-13)4-9(10)11-6-21-14(7-20-11)22-15(23)8-2-1-3-8;1-2-3-14(22)21-13-7-19-10(6-20-13)8-4-11-12(5-9(8)16)24-15(17,18)23-11/h26-11H,1-5H2,(H,23,24,25);4-5,7-9,13H,1-3,6H2,(H,22,23,24);6-10H,2-5H2,1H3,(H,22,23,24);4-8H,1-3H2,(H,21,22,23);4-7H,2-3H2,1H3,(H,20,21,22)
InChIKey	FJPXDNRSEBRTGC-UHFFFAOYSA-N
XLogP	27.67
TPSA	397.71 Å²
H-Bond Donors	6
H-Bond Acceptors	27
Rotatable Bonds	22
Heavy Atoms	156
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2292.65
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Analyze N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide (CID 158052290) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide.

What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide is CCCC(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCCCCC(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCC1.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCCCO1.O=C(Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)C1CCC1.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?

The InChIKey is FJPXDNRSEBRTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17ClF2N2O3.C18H15ClF2N2O4.C18H17ClF2N2O3.C16H12ClF2N3O3.C15H12ClF2N3O3/c2*20-14-9-16-15(26-19(21,22)27-16)8-13(14)12-6-7-17(23-10-12)24-18(25)11-4-2-1-3-5-11;19-12-8-15-14(26-18(20,21)27-15)7-11(12)10-4-5-16(22-9-10)23-17(24)13-3-1-2-6-25-13;1-2-3-4-5-17(24)23-16-7-6-11(10-22-16)12-8-14-15(9-13(12)19)26-18(20,21)25-14;17-10-5-13-12(24-16(18,19)25-13)4-9(10)11-6-21-14(7-20-11)22-15(23)8-2-1-3-8;1-2-3-14(22)21-13-7-19-10(6-20-13)8-4-11-12(5-9(8)16)24-15(17,18)23-11/h2*6-11H,1-5H2,(H,23,24,25);4-5,7-9,13H,1-3,6H2,(H,22,23,24);6-10H,2-5H2,1H3,(H,22,23,24);4-8H,1-3H2,(H,21,22,23);4-7H,2-3H2,1H3,(H,20,21,22).

What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide?

Where does this data come from?

All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]butanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]cyclobutanecarboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]cyclohexanecarboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]hexanamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]oxane-2-carboxamide is sourced from PubChem (CID 158052290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).