5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide

C13H16ClFN2O — CID 120557983

IUPAC5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyGTARPEUWWCESEX-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.21
Rot. Bonds2

About 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide

5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120557983) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120557983
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
SMILESCC1CNCCC1NC(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18)
InChIKeyGTARPEUWWCESEX-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
2-fluoro-N-(3-methylpiperidin-4-yl)-5-(2-oxoimidazolidin-1-yl)benzamide
CID 120556656
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120553451
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide (CID 120557983) is 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide is CC1CNCCC1NC(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is GTARPEUWWCESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-7-16-5-4-12(8)17-13(18)10-6-9(14)2-3-11(10)15/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide?
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 270.73 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120557983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).