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

C13H16ClFN2O — CID 107990993

IUPAC4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Cl)c(F)c2)CCN1
InChIInChI=1S/C13H16ClFN2O/c1-8-6-10(4-5-16-8)17-13(18)9-2-3-11(14)12(15)7-9/h2-3,7-8,10,16H,4-6H2,1H3,(H,17,18)
InChIKeyUOAOZPYZIIZAII-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.35
Rot. Bonds2

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

4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide (PubChem CID 107990993) has the molecular formula C13H16ClFN2O and a molecular weight of 270.74 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
PubChem CID107990993
Molecular FormulaC13H16ClFN2O
Molecular Weight270.74 g/mol
Exact Mass270.09
IUPAC Name4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
SMILESCC1CC(NC(=O)c2ccc(Cl)c(F)c2)CCN1
InChIInChI=1S/C13H16ClFN2O/c1-8-6-10(4-5-16-8)17-13(18)9-2-3-11(14)12(15)7-9/h2-3,7-8,10,16H,4-6H2,1H3,(H,17,18)
InChIKeyUOAOZPYZIIZAII-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598082
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide (CID 107990993) is 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide is CC1CC(NC(=O)c2ccc(Cl)c(F)c2)CCN1.
What is the InChIKey of 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
The InChIKey is UOAOZPYZIIZAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-8-6-10(4-5-16-8)17-13(18)9-2-3-11(14)12(15)7-9/h2-3,7-8,10,16H,4-6H2,1H3,(H,17,18).
What are the key properties of 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide?
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide has a molecular weight of 270.74 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 107990993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).