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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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).