N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide

C136H176F11N13O7 — CID 163508545

IUPACN-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide
SMILESCCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2c(C)cccc2c1.CCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2c(F)cccc2c1.CCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2ccccc2c1.CCC(CC)CC(C)NC(=O)c1ccc2c(F)cccc2c1.CCC(CC)CC(C)NC(=O)c1cnc2c(C)cccc2c1.CCCC(C)CC(C)NC(=O)c1cnc2c(C)cccc2c1.CCCC(C)CC(C)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H27F3N2O.C20H24F4N2O.C20H25F3N2O.C19H24FNO.2C19H26N2O.C18H24N2O/c1-5-15(6-2)11-20(4,13-21(22,23)24)26-19(27)17-10-16-9-7-8-14(3)18(16)25-12-17;1-4-13(5-2)10-19(3,12-20(22,23)24)26-18(27)15-9-14-7-6-8-16(21)17(14)25-11-15;1-4-14(5-2)11-19(3,13-20(21,22)23)25-18(26)16-10-15-8-6-7-9-17(15)24-12-16;1-4-14(5-2)11-13(3)21-19(22)16-9-10-17-15(12-16)7-6-8-18(17)20;1-5-7-13(2)10-15(4)21-19(22)17-11-16-9-6-8-14(3)18(16)20-12-17;1-5-15(6-2)10-14(4)21-19(22)17-11-16-9-7-8-13(3)18(16)20-12-17;1-4-7-13(2)10-14(3)20-18(21)16-11-15-8-5-6-9-17(15)19-12-16/h7-10,12,15H,5-6,11,13H2,1-4H3,(H,26,27);6-9,11,13H,4-5,10,12H2,1-3H3,(H,26,27);6-10,12,14H,4-5,11,13H2,1-3H3,(H,25,26);6-10,12-14H,4-5,11H2,1-3H3,(H,21,22);6,8-9,11-13,15H,5,7,10H2,1-4H3,(H,21,22);7-9,11-12,14-15H,5-6,10H2,1-4H3,(H,21,22);5-6,8-9,11-14H,4,7,10H2,1-3H3,(H,20,21)
InChIKeyDARLHUYBBGFVLS-UHFFFAOYSA-N
MW2313.97 g/mol
LogP35.03
Rot. Bonds45

About N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide

N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide (PubChem CID 163508545) has the molecular formula C136H176F11N13O7 and a molecular weight of 2313.97 g/mol. Its IUPAC name is N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide
PubChem CID163508545
Molecular FormulaC136H176F11N13O7
Molecular Weight2313.97 g/mol
Exact Mass2312.36
IUPAC NameN-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide
SMILESCCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2c(C)cccc2c1.CCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2c(F)cccc2c1.CCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2ccccc2c1.CCC(CC)CC(C)NC(=O)c1ccc2c(F)cccc2c1.CCC(CC)CC(C)NC(=O)c1cnc2c(C)cccc2c1.CCCC(C)CC(C)NC(=O)c1cnc2c(C)cccc2c1.CCCC(C)CC(C)NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C21H27F3N2O.C20H24F4N2O.C20H25F3N2O.C19H24FNO.2C19H26N2O.C18H24N2O/c1-5-15(6-2)11-20(4,13-21(22,23)24)26-19(27)17-10-16-9-7-8-14(3)18(16)25-12-17;1-4-13(5-2)10-19(3,12-20(22,23)24)26-18(27)15-9-14-7-6-8-16(21)17(14)25-11-15;1-4-14(5-2)11-19(3,13-20(21,22)23)25-18(26)16-10-15-8-6-7-9-17(15)24-12-16;1-4-14(5-2)11-13(3)21-19(22)16-9-10-17-15(12-16)7-6-8-18(17)20;1-5-7-13(2)10-15(4)21-19(22)17-11-16-9-6-8-14(3)18(16)20-12-17;1-5-15(6-2)10-14(4)21-19(22)17-11-16-9-7-8-13(3)18(16)20-12-17;1-4-7-13(2)10-14(3)20-18(21)16-11-15-8-5-6-9-17(15)19-12-16/h7-10,12,15H,5-6,11,13H2,1-4H3,(H,26,27);6-9,11,13H,4-5,10,12H2,1-3H3,(H,26,27);6-10,12,14H,4-5,11,13H2,1-3H3,(H,25,26);6-10,12-14H,4-5,11H2,1-3H3,(H,21,22);6,8-9,11-13,15H,5,7,10H2,1-4H3,(H,21,22);7-9,11-12,14-15H,5-6,10H2,1-4H3,(H,21,22);5-6,8-9,11-14H,4,7,10H2,1-3H3,(H,20,21)
InChIKeyDARLHUYBBGFVLS-UHFFFAOYSA-N
XLogP35.03
TPSA281.04 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds45
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002313.97
LogP ≤ 535.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide?
The IUPAC name of N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide (CID 163508545) is N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide is CCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2c(C)cccc2c1.CCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2c(F)cccc2c1.CCC(CC)CC(C)(CC(F)(F)F)NC(=O)c1cnc2ccccc2c1.CCC(CC)CC(C)NC(=O)c1ccc2c(F)cccc2c1.CCC(CC)CC(C)NC(=O)c1cnc2c(C)cccc2c1.CCCC(C)CC(C)NC(=O)c1cnc2c(C)cccc2c1.CCCC(C)CC(C)NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide?
The InChIKey is DARLHUYBBGFVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N2O.C20H24F4N2O.C20H25F3N2O.C19H24FNO.2C19H26N2O.C18H24N2O/c1-5-15(6-2)11-20(4,13-21(22,23)24)26-19(27)17-10-16-9-7-8-14(3)18(16)25-12-17;1-4-13(5-2)10-19(3,12-20(22,23)24)26-18(27)15-9-14-7-6-8-16(21)17(14)25-11-15;1-4-14(5-2)11-19(3,13-20(21,22)23)25-18(26)16-10-15-8-6-7-9-17(15)24-12-16;1-4-14(5-2)11-13(3)21-19(22)16-9-10-17-15(12-16)7-6-8-18(17)20;1-5-7-13(2)10-15(4)21-19(22)17-11-16-9-6-8-14(3)18(16)20-12-17;1-5-15(6-2)10-14(4)21-19(22)17-11-16-9-7-8-13(3)18(16)20-12-17;1-4-7-13(2)10-14(3)20-18(21)16-11-15-8-5-6-9-17(15)19-12-16/h7-10,12,15H,5-6,11,13H2,1-4H3,(H,26,27);6-9,11,13H,4-5,10,12H2,1-3H3,(H,26,27);6-10,12,14H,4-5,11,13H2,1-3H3,(H,25,26);6-10,12-14H,4-5,11H2,1-3H3,(H,21,22);6,8-9,11-13,15H,5,7,10H2,1-4H3,(H,21,22);7-9,11-12,14-15H,5-6,10H2,1-4H3,(H,21,22);5-6,8-9,11-14H,4,7,10H2,1-3H3,(H,20,21).
What are the key properties of N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide?
N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide has a molecular weight of 2313.97 g/mol, XLogP of 35.03, 45 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylhexan-2-yl)-5-fluoronaphthalene-2-carboxamide;N-(4-ethylhexan-2-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-fluoroquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)-8-methylquinoline-3-carboxamide;N-(5-ethyl-1,1,1-trifluoro-3-methylheptan-3-yl)quinoline-3-carboxamide;N-(4-methylheptan-2-yl)quinoline-3-carboxamide;8-methyl-N-(4-methylheptan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 163508545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).