N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

C19H18F2N2O4 — CID 108562910

IUPACN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H18F2N2O4/c20-12-1-2-16(17(21)9-12)19(27)23-5-3-13(4-6-23)22-18(26)11-7-14(24)10-15(25)8-11/h1-2,7-10,13,24-25H,3-6H2,(H,22,26)
InChIKeyYSOCURAIRHQTEF-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.41
Rot. Bonds3

About N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (PubChem CID 108562910) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
PubChem CID108562910
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC NameN-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H18F2N2O4/c20-12-1-2-16(17(21)9-12)19(27)23-5-3-13(4-6-23)22-18(26)11-7-14(24)10-15(25)8-11/h1-2,7-10,13,24-25H,3-6H2,(H,22,26)
InChIKeyYSOCURAIRHQTEF-UHFFFAOYSA-N
XLogP2.41
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]benzamide
CID 108559879
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561657
2,4-difluoro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108564431
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
CID 108549393
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558137
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-[2-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559772

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (CID 108562910) is N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is O=C(NC1CCN(C(=O)c2ccc(F)cc2F)CC1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The InChIKey is YSOCURAIRHQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c20-12-1-2-16(17(21)9-12)19(27)23-5-3-13(4-6-23)22-18(26)11-7-14(24)10-15(25)8-11/h1-2,7-10,13,24-25H,3-6H2,(H,22,26).
What are the key properties of N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide has a molecular weight of 376.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108562910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).