3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide

C25H22F2N2O3 — CID 51125015

IUPAC3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(O)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C25H22F2N2O3/c26-19-12-18(13-20(27)14-19)24(31)28-21-6-7-22(23(30)15-21)25(32)29-10-8-17(9-11-29)16-4-2-1-3-5-16/h1-7,12-15,17,30H,8-11H2,(H,28,31)
InChIKeyWOEVKCAXGPVMKW-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.94
Rot. Bonds4

About 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide

3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 51125015) has the molecular formula C25H22F2N2O3 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID51125015
Molecular FormulaC25H22F2N2O3
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(O)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C25H22F2N2O3/c26-19-12-18(13-20(27)14-19)24(31)28-21-6-7-22(23(30)15-21)25(32)29-10-8-17(9-11-29)16-4-2-1-3-5-16/h1-7,12-15,17,30H,8-11H2,(H,28,31)
InChIKeyWOEVKCAXGPVMKW-UHFFFAOYSA-N
XLogP4.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
4-benzamidosalicylic acid, calcium salt
CID 126959845
4-[(3,5-difluorobenzoyl)amino]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-hydroxybenzamide
CID 56562302
calcium;4-benzamido-2-hydroxybenzoic acid;hydride
CID 173372748
4-[(3,5-difluorobenzoyl)amino]-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)benzamide
CID 60572609
N-(4-amino-3,5-dichlorophenyl)-4-[(3,5-difluorobenzoyl)amino]-2-hydroxybenzamide
CID 60572464
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
4-(1-methylpiperidin-4-yl)-N-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]benzamide
CID 144638426
4-[(3,5-difluorobenzoyl)amino]-N-[[(2R,6S)-2,6-dimethyloxan-4-yl]methyl]-2-hydroxybenzamide
CID 100702200
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide (CID 51125015) is 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c(O)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is WOEVKCAXGPVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3/c26-19-12-18(13-20(27)14-19)24(31)28-21-6-7-22(23(30)15-21)25(32)29-10-8-17(9-11-29)16-4-2-1-3-5-16/h1-7,12-15,17,30H,8-11H2,(H,28,31).
What are the key properties of 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide?
3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 436.46 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-hydroxy-4-(4-phenylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 51125015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).