2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

C19H27F2N2O+ — CID 8001355

IUPAC2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C19H26F2N2O/c20-15-7-8-16(17(21)13-15)18(24)22-14-19(9-3-1-4-10-19)23-11-5-2-6-12-23/h7-8,13H,1-6,9-12,14H2,(H,22,24)/p+1
InChIKeyDCILHAOJRSPDGT-UHFFFAOYSA-O
MW337.43 g/mol
LogP2.47
Rot. Bonds4

About 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide

2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (PubChem CID 8001355) has the molecular formula C19H27F2N2O+ and a molecular weight of 337.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
PubChem CID8001355
Molecular FormulaC19H27F2N2O+
Molecular Weight337.43 g/mol
Exact Mass337.21
IUPAC Name2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C19H26F2N2O/c20-15-7-8-16(17(21)13-15)18(24)22-14-19(9-3-1-4-10-19)23-11-5-2-6-12-23/h7-8,13H,1-6,9-12,14H2,(H,22,24)/p+1
InChIKeyDCILHAOJRSPDGT-UHFFFAOYSA-O
XLogP2.47
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide (CID 8001355) is 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is DCILHAOJRSPDGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26F2N2O/c20-15-7-8-16(17(21)13-15)18(24)22-14-19(9-3-1-4-10-19)23-11-5-2-6-12-23/h7-8,13H,1-6,9-12,14H2,(H,22,24)/p+1.
What are the key properties of 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide?
2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 337.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 8001355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).