4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide

C16H22ClFN2O2 — CID 124738268

IUPAC4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESCOC[C@@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H22ClFN2O2/c1-22-11-12-3-2-7-20(10-12)8-6-19-16(21)14-5-4-13(17)9-15(14)18/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyQSACKIVMLMHYCY-GFCCVEGCSA-N
MW328.81 g/mol
LogP2.57
Rot. Bonds6

About 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide

4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 124738268) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID124738268
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESCOC[C@@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H22ClFN2O2/c1-22-11-12-3-2-7-20(10-12)8-6-19-16(21)14-5-4-13(17)9-15(14)18/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyQSACKIVMLMHYCY-GFCCVEGCSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587713
4-chloro-2-methoxy-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56716852
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 114849870
4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64583608
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
2-[(4-chlorophenyl)methyl]-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 46996855
1-(4-chloro-2-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]methanesulfonamide
CID 131915097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide (CID 124738268) is 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide is COC[C@@H]1CCCN(CCNC(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is QSACKIVMLMHYCY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-22-11-12-3-2-7-20(10-12)8-6-19-16(21)14-5-4-13(17)9-15(14)18/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide?
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 328.81 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 124738268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).