4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide

C19H20F2N2O2 — CID 119442811

IUPAC4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C1CCNCC1
InChIInChI=1S/C19H20F2N2O2/c1-23(14-8-10-22-11-9-14)19(24)13-2-4-15(5-3-13)25-16-6-7-17(20)18(21)12-16/h2-7,12,14,22H,8-11H2,1H3
InChIKeyMNRDDAZWRVCNQQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.58
Rot. Bonds4

About 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide

4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 119442811) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID119442811
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C1CCNCC1
InChIInChI=1S/C19H20F2N2O2/c1-23(14-8-10-22-11-9-14)19(24)13-2-4-15(5-3-13)25-16-6-7-17(20)18(21)12-16/h2-7,12,14,22H,8-11H2,1H3
InChIKeyMNRDDAZWRVCNQQ-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenoxy)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443707
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550855
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
4-(4-chloro-2-nitrophenoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553316

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide (CID 119442811) is 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide is CN(C(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1)C1CCNCC1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is MNRDDAZWRVCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-23(14-8-10-22-11-9-14)19(24)13-2-4-15(5-3-13)25-16-6-7-17(20)18(21)12-16/h2-7,12,14,22H,8-11H2,1H3.
What are the key properties of 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide?
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 346.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119442811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).