4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide

C13H16ClFN2O — CID 107990085

IUPAC4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(F)c1)C1CCNCC1
InChIInChI=1S/C13H16ClFN2O/c1-17(10-4-6-16-7-5-10)13(18)9-2-3-11(14)12(15)8-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeyFVFLQUGGIKJQGY-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.30
Rot. Bonds2

About 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide

4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 107990085) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID107990085
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(F)c1)C1CCNCC1
InChIInChI=1S/C13H16ClFN2O/c1-17(10-4-6-16-7-5-10)13(18)9-2-3-11(14)12(15)8-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeyFVFLQUGGIKJQGY-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-4-chloro-3-fluoro-N-methylbenzamide
CID 107990590
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
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
3-fluoro-N-methyl-4-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119441468
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
CID 119442759

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide (CID 107990085) is 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide is CN(C(=O)c1ccc(Cl)c(F)c1)C1CCNCC1.
What is the InChIKey of 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is FVFLQUGGIKJQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-17(10-4-6-16-7-5-10)13(18)9-2-3-11(14)12(15)8-9/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide?
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 270.73 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 107990085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).