N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide

C23H24F2N2O2 — CID 59881684

IUPACN-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1CCC(Cc2cc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C23H24F2N2O2/c24-20-2-1-3-21(25)19(20)13-26-23(29)15-6-4-14(5-7-15)10-17-11-16-8-9-18(28)12-22(16)27-17/h1-3,8-9,11-12,14-15,27-28H,4-7,10,13H2,(H,26,29)
InChIKeyBXNCMLFARVTIPB-UHFFFAOYSA-N
MW398.45 g/mol
LogP4.82
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide

N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 59881684) has the molecular formula C23H24F2N2O2 and a molecular weight of 398.45 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID59881684
Molecular FormulaC23H24F2N2O2
Molecular Weight398.45 g/mol
Exact Mass398.18
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1CCC(Cc2cc3ccc(O)cc3[nH]2)CC1
InChIInChI=1S/C23H24F2N2O2/c24-20-2-1-3-21(25)19(20)13-26-23(29)15-6-4-14(5-7-15)10-17-11-16-8-9-18(28)12-22(16)27-17/h1-3,8-9,11-12,14-15,27-28H,4-7,10,13H2,(H,26,29)
InChIKeyBXNCMLFARVTIPB-UHFFFAOYSA-N
XLogP4.82
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide (CID 59881684) is N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide is O=C(NCc1c(F)cccc1F)C1CCC(Cc2cc3ccc(O)cc3[nH]2)CC1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is BXNCMLFARVTIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2/c24-20-2-1-3-21(25)19(20)13-26-23(29)15-6-4-14(5-7-15)10-17-11-16-8-9-18(28)12-22(16)27-17/h1-3,8-9,11-12,14-15,27-28H,4-7,10,13H2,(H,26,29).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide?
N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-[(6-hydroxy-1H-indol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59881684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).