N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide

C21H23ClF2N2O2 — CID 163322331

IUPACN-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC(OCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H23ClF2N2O2/c1-14-17(22)3-2-4-20(14)25-21(27)12-26-9-7-16(8-10-26)28-13-15-5-6-18(23)19(24)11-15/h2-6,11,16H,7-10,12-13H2,1H3,(H,25,27)
InChIKeyNXHYXFTYHKKMBV-UHFFFAOYSA-N
MW408.88 g/mol
LogP4.55
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide (PubChem CID 163322331) has the molecular formula C21H23ClF2N2O2 and a molecular weight of 408.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide
PubChem CID163322331
Molecular FormulaC21H23ClF2N2O2
Molecular Weight408.88 g/mol
Exact Mass408.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC(OCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H23ClF2N2O2/c1-14-17(22)3-2-4-20(14)25-21(27)12-26-9-7-16(8-10-26)28-13-15-5-6-18(23)19(24)11-15/h2-6,11,16H,7-10,12-13H2,1H3,(H,25,27)
InChIKeyNXHYXFTYHKKMBV-UHFFFAOYSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-fluorobenzyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 16193338
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CID 67281064
2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]-N-(4-fluoro-3-methylphenyl)acetamide
CID 168270809
2-[4-[(4-chloro-3-fluorophenyl)methoxy]piperidin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 168292271
N-[(2-Chloro-4-fluorophenyl)methyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-YL)oxy]acetamide
CID 16008120
N-[3-chloro-4-[(2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetamide
CID 44449559
N-(3-chloro-2-methylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]acetamide
CID 168288343
N-(2-chloro-4-fluorobenzyl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 16008360
N-(3-chlorophenyl)-2-(5-((4-fluorobenzyl)oxy)-2-methyl-4-oxopyridin-1(4H)-yl)acetamide
CID 16852823
N1-(3,4-difluorophenyl)-N2-(2-(2-phenylmorpholino)ethyl)oxalamide
CID 16892974
N1-(3-chloro-4-fluorophenyl)-N2-(3-(2-phenylmorpholino)propyl)oxalamide
CID 16893053
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide (CID 163322331) is N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)CN1CCC(OCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide?
The InChIKey is NXHYXFTYHKKMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O2/c1-14-17(22)3-2-4-20(14)25-21(27)12-26-9-7-16(8-10-26)28-13-15-5-6-18(23)19(24)11-15/h2-6,11,16H,7-10,12-13H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide has a molecular weight of 408.88 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]acetamide is sourced from PubChem (CID 163322331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).