2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide

C25H26FN3O2 — CID 60579710

IUPAC2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C25H26FN3O2/c26-22-16-18(10-11-24(22)29-14-12-20(30)13-15-29)17-27-25(31)21-8-4-5-9-23(21)28-19-6-2-1-3-7-19/h1-11,16,20,28,30H,12-15,17H2,(H,27,31)
InChIKeyXTKXRGTWXJPPGU-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.46
Rot. Bonds6

About 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide

2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide (PubChem CID 60579710) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide
PubChem CID60579710
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C25H26FN3O2/c26-22-16-18(10-11-24(22)29-14-12-20(30)13-15-29)17-27-25(31)21-8-4-5-9-23(21)28-19-6-2-1-3-7-19/h1-11,16,20,28,30H,12-15,17H2,(H,27,31)
InChIKeyXTKXRGTWXJPPGU-UHFFFAOYSA-N
XLogP4.46
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 60579615
3-fluoro-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 111458172
(5R)-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94666162
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60579554
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 138042136
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 91641732
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
1-ethyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-1-methylurea
CID 110922120
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(2-methylcyclopropyl)urea
CID 110929833
1-butyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]urea
CID 110900135
1-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-3-(1-methylcyclobutyl)urea
CID 109397854
N-benzyl-3-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methylcarbamoylamino]-N-methylpropanamide
CID 86880649

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide (CID 60579710) is 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide?
The InChIKey is XTKXRGTWXJPPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c26-22-16-18(10-11-24(22)29-14-12-20(30)13-15-29)17-27-25(31)21-8-4-5-9-23(21)28-19-6-2-1-3-7-19/h1-11,16,20,28,30H,12-15,17H2,(H,27,31).
What are the key properties of 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide?
2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 60579710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).